SCHEMBL356787

SCHEMBL356787

COc1ccc2[nH][c]nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 4/20 0.46
MAPT P10636 3/20 0.46
GFER P55789 2/20 0.46
TSHR P16473 2/20 0.46
MMP12 P39900 1/20 0.43
POLB P06746 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
NQO2 P16083 1/20 0.43
HPGD P15428 3/20 0.42
AXL P30530 1/20 0.41
ACHE P22303 1/20 0.39
EGFR P00533 1/20 0.39
PSMB8 P28062 1/20 0.39

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
SCHEMBL1917623 0.85 MMP12 (0.51) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL5983140 0.81 HSD17B10 (0.46) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL16294171 0.77 KIF11 (0.41) KMT2AKDM4EHSD17B10NPC1RAB9A
SCHEMBL7483229 0.76 ALDH1A1 (0.46) MEN1KMT2AALDH1A1MAPTGFER
SCHEMBL15157259 0.75 PDE3B (0.45) ALDH1A1PDE3BPDE3A
SCHEMBL15156699 0.73 GRIN2D (0.41) KMT2AALDH1A1KDM4EPOLBSMN1; SMN2
SCHEMBL207659 0.71 F7 (0.42) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL7221951 0.71 ALDH1A1 (0.42) MEN1KMT2AALDH1A1KDM4EPOLB
SCHEMBL5981619 0.71 DYRK1A (0.42) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL7271829 0.70 KIF11 (0.36) MEN1KMT2AALDH1A1KDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197277-B1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION INC (US) 2021-12-22 EP claimed
EP-3176163-B1 NOVEL INDENE DERIVATIVE, PREPARATION METHOD FOR SAME, AND PHARMACEUTICAL COMPOSITION, FOR PREVENTING OR TREATING RETINAL DISEASES, CONTAINING SAME AS ACTIVE INGREDIENT IAC IN NAT UNIV CHUNGNAM (KR) 2019-04-17 EP claimed
US-20170283439-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CCHDI Foundation Inc. (US) 2017-10-05 US claimed
EP-3197277-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI Foundation, Inc. (US) 2017-08-02 EP claimed
WO-2016033440-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION, INC. (US) 2016-03-03 WO claimed
EP-2362775-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-08-05 EP claimed
CN-103592379-B Analytic method of omeprazole related substance SHANDONG INST PHARMACEUTICAL INDUSTRY 2015-02-11 CN claimed
US-8697685-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-04-15 US claimed
US-20110275611-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-11-10 US claimed
EP-2362775-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-09-07 EP claimed
WO-2010059658-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-05-27 WO claimed
EP-1392639-B1 PYRUVATE DERIVATIVES GALILEO LAB INC (US) 2008-09-17 EP claimed
US-20060281782-A1 Method for the enantioselective preparation of sulphoxide derivatives SIDEM PHARMA (LU) 2006-12-14 US claimed
EP-1392639-A4 PYRUVATE DERIVATIVES GALILEO LAB INC (US) 2006-01-25 EP claimed
EP-1392639-A1 PYRUVATE DERIVATIVES Galileo Laboratories, Inc. (US) 2004-03-03 EP claimed
US-20030013847-A1 Cytoprotective agents MONSANTO TECHNOLOGY LLC 2003-01-16 US claimed
WO-2002090314-A1 PYRUVATE DERIVATIVES GALILEO LABORATORIES, INC. (US) 2002-11-14 WO claimed
US-11851446-B2 Probes for imaging Huntingtin protein CHDI FOUNDATION, INC. (US) 2023-12-26 US disclosed
EP-0035228-A1 Tetrazole derivatives, process for the preparation thereof, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1981-09-09 EP disclosed
US-4278791-A CORROSION RESISTANCE, WETTING AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1981-07-14 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 (5 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-11851446-B2 Probes for imaging Huntingtin protein HTT, HYPK, HSPBP1 MEN1 907/4885KMT2A 3799/4885ALDH1A1 3976/4885
US-20030013847-A1 Cytoprotective agents PC, PDK1, PDK2 MEN1 4674/4885KMT2A 3599/4885ALDH1A1 247/4885
US-20110275611-A1 CHEMICAL COMPOUNDS PDK1, PDK2, PDK3 MEN1 3863/4885KMT2A 2173/4885ALDH1A1 873/4885
US-20060281782-A1 Method for the enantioselective preparation of sulphoxide derivatives TST, CYP2B6, SQOR MEN1 4703/4885KMT2A 2328/4885ALDH1A1 183/4885
US-20170283439-A1 PROBES FOR IMAGING HUNTINGTIN PROTEIN HTT, HYPK, HSPBP1 MEN1 907/4885KMT2A 3799/4885ALDH1A1 3976/4885

“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.