SCHEMBL934018

SCHEMBL934018

CC(C)c1ccc(C=O)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.48
KCNJ1 P48048 1/20 0.39
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
CCR1 P32246 1/20 0.35
CHRNA7 P36544 1/20 0.34
PTPN1 P18031 1/20 0.33
MAPK1 P28482 1/20 0.32
MAPT P10636 2/20 0.32
DEGS1 O15121 1/20 0.32
ERN1 O75460 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2552973 0.84 ADRB2 (0.38) TYRKCNJ1ALDH1A1CCR1
SCHEMBL15330558 0.84 ADRB2 (0.38) TYRKCNJ1ALDH1A1CCR1
SCHEMBL25912492 0.81 KCNJ1 (0.35) TYRKCNJ1CCR1
SCHEMBL15329724 0.81 KCNJ1 (0.35) TYRKCNJ1CCR1
SCHEMBL2553741 0.81 KCNJ1 (0.35) TYRKCNJ1CCR1
SCHEMBL7089260 0.81 ALDH1A1 (0.39) TYRKCNJ1NPC1RAB9AALDH1A1
SCHEMBL25912430 0.80 KCNJ1 (0.34) TYRKCNJ1CCR1
SCHEMBL21352373 0.80 ALDH1A1 (0.36) TYRNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL20489882 0.79 KCNJ1 (0.39) TYRKCNJ1ALDH1A1CCR1
SCHEMBL19258542 0.79 TYR (0.34) TYRNPC1RAB9AKDM4EALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023061263-A1 SHP2 INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 北京泰德制药股份有限公司 2023-04-20 WO disclosed
WO-2023011513-A1 SHP2 INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND APPLICATION THEREOF 北京泰德制药股份有限公司 2023-02-09 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11279681-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors VALO HEALTH, INC. (US) 2022-03-22 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
US-20210009539-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2021-01-14 US disclosed
US-10829462-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors VALO EARLY DISCOVERY, INC. (US) 2020-11-10 US disclosed
US-20200055830-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2020-02-20 US disclosed
US-10450283-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2019-10-22 US disclosed
US-10428031-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors FORMA THERAPEUTICS, INC. (US) 2019-10-01 US disclosed
US-20170267670-A1 PIPERAZINE DERIVATIVES FOR TREATING DISORDERS EXONATE LIMITED (GB) 2017-09-21 US disclosed
WO-2016126722-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS FORMA THERAPEUTICS, INC. (US) 2016-08-11 WO disclosed
US-20160221972-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS VALO HEALTH, INC. 2016-08-04 US disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
US-20120128630-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARAMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE VIVALIS (FR) 2012-05-24 US disclosed
EP-2451800-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE Vivalis (FR) 2012-05-16 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
WO-2011004017-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE VIVALIS (FR) 2011-01-13 WO disclosed
US-20080146811-A1 Compounds and Methods For Treatment of Thrombosis DAIICHI ASUBIO MEDICAL RESEARCH LABORATORIES LLC 2008-06-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11279681-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 TYR 2669/4885KCNJ1 3201/4885NPC1 1803/4885
US-20080146811-A1 Compounds and Methods For Treatment of Thrombosis F2, SERPINC1, PLAT TYR 544/4885KCNJ1 2244/4885NPC1 2173/4885
US-20160221972-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 TYR 2669/4885KCNJ1 3201/4885NPC1 1803/4885
US-20120128630-A1 1-(6 MEMBERS AZO-HETEROCYCLIC)-PYRROLIN-2-ONE COMPOUNDS AS INHIBITORS OF HEPATITIS C NS5B POLYMERASE, THE PHARAMACEUTICAL COMPOSITION THEREOF AND THEIR THERAPEUTIC USE NAT1, POLM, PYGL TYR 766/4885KCNJ1 4485/4885NPC1 640/4885
US-10450283-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 TYR 2669/4885KCNJ1 3201/4885NPC1 1803/4885
US-20200055830-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 TYR 2669/4885KCNJ1 3201/4885NPC1 1803/4885
US-10428031-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 TYR 2669/4885KCNJ1 3201/4885NPC1 1803/4885
US-20210009539-A1 3-ALKYL BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 TYR 2669/4885KCNJ1 3201/4885NPC1 1803/4885
US-10829462-B2 3-alkyl bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 TYR 2669/4885KCNJ1 3201/4885NPC1 1803/4885
US-20170267670-A1 PIPERAZINE DERIVATIVES FOR TREATING DISORDERS PGF, GAP43, VHL TYR 2638/4885KCNJ1 1161/4885NPC1 919/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.