SCHEMBL670199

SCHEMBL670199

COn1c(C)cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
SLC6A2 P23975 2/20 0.41
BACE1 P56817 1/20 0.40
TP53 P04637 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 2/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
KMT2A Q03164 5/20 0.37
TSHR P16473 1/20 0.36
MEN1 O00255 4/20 0.36
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
HTT P42858 2/20 0.36

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
SCHEMBL3970680 0.82 SLC6A2 (0.40) SMN1; SMN2SLC6A2TP53NPC1RAB9A
SCHEMBL6472453 0.78 SMN1; SMN2 (0.45) SMN1; SMN2BACE1NPC1RAB9AKDM4E
SCHEMBL18317487 0.77 SMN1; SMN2 (0.60) SMN1; SMN2BACE1NPC1KDM4EKMT2A
SCHEMBL5201509 0.76 TP53 (0.47) SMN1; SMN2TP53NPC1RAB9AKDM4E
SCHEMBL11747741 0.75 KMT2A (0.59) SMN1; SMN2BACE1NPC1RAB9AKDM4E
SCHEMBL5642556 0.75 SMN1; SMN2 (0.42) SMN1; SMN2BACE1NPC1RAB9AKDM4E
SCHEMBL3969742 0.75 SMN1; SMN2 (0.42) SMN1; SMN2BACE1NPC1RAB9AKDM4E
SCHEMBL2592356 0.73 SMN1; SMN2 (0.46) SMN1; SMN2BACE1KMT2ACYP1A2ALDH1A1
SCHEMBL10901769 0.73 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AKDM4EKMT2AMEN1
SCHEMBL22408296 0.73 SMN1; SMN2 (0.41) SMN1; SMN2BACE1NPC1RAB9AKDM4E

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO LTD (CN) 2021-11-18 US disclosed
US-9872846-B2 High penetration compositions and uses thereof TECHFIELDS PHARMA CO., LTD. (CN) 2018-01-23 US disclosed
US-20170209585-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO LTD (CN) 2017-07-27 US disclosed
US-20170209404-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF PREMIER RESEARCH INTERNATIONAL, LLC 2017-07-27 US disclosed
EP-2606032-A2 COMPOSITION AND METHODS FOR TREATING GLIOBLASTOMA University Of Washington Through Its Center For Commercialization (US) 2013-06-26 EP disclosed
WO-2012024670-A2 COMPOSITION AND METHODS FOR TREATING GLIOBLASTOMA UNIVERSITY OF WASHINGTON THROUGH ITS CENTER FOR COMMERCIALIZATION (US) 2012-02-23 WO disclosed
US-7863302-B2 Compounds and methods for modulating FX-receptors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 US disclosed
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO., LTD. (CN) 2009-09-24 US disclosed
US-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 US disclosed
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 US disclosed
WO-2003040103-A1 β-SULFONE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES AND/OR TNF-α CONVERTING ENZYME (TACE) BRISTOL-MYERS SQUIBB COMPANY (US) 2003-05-15 WO 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-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 SMN1; SMN2 3011/4885SLC6A2 2111/4885BACE1 72/4885
US-20170209404-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES SMN1; SMN2 2335/4885SLC6A2 326/4885BACE1 1263/4885
US-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES SMN1; SMN2 2335/4885SLC6A2 326/4885BACE1 1263/4885
US-20170209585-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES SMN1; SMN2 2335/4885SLC6A2 326/4885BACE1 1263/4885
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES SMN1; SMN2 2335/4885SLC6A2 326/4885BACE1 1263/4885

“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.