SCHEMBL13061371

SCHEMBL13061371

CCCc1ccc(N2CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHKA P35790 5/20 0.53
BRS3 P32247 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 2/20 0.49
TP53 P04637 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 2/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49
L3MBTL1 Q9Y468 4/20 0.48
HTT P42858 2/20 0.48
MEN1 O00255 1/20 0.48
USP2 O75604 1/20 0.48
THRB P10828 1/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL8349588 0.98 CHKA (0.51) CHKABRS3SMN1; SMN2NPC1TP53
SCHEMBL27249154 0.94 CHKA (0.51) CHKABRS3SMN1; SMN2NPC1TP53
SCHEMBL18405988 0.88 CHKA (0.44) CHKABRS3KDM4EALDH1A1GAA
SCHEMBL9915870 0.87 CHKA (0.65) CHKABRS3SMN1; SMN2NPC1TP53
SCHEMBL21280348 0.85 S1PR1 (0.61) CHKATP53KDM4EALDH1A1LMNA
SCHEMBL18618234 0.83 CHKA (0.56) CHKASMN1; SMN2NPC1TP53RAB9A
SCHEMBL300433 0.83 CHKA (0.56) CHKASMN1; SMN2NPC1TP53RAB9A
SCHEMBL8353735 0.82 CHKA (0.57) CHKAKDM4EALDH1A1GAAMAPT
SCHEMBL13061369 0.82 MAPT (0.52) SMN1; SMN2NPC1TP53RAB9AKDM4E
Hydrochloric Acid SCHEMBL29156885 0.82 MEN1 (0.55) CHKASMN1; SMN2NPC1TP53RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023235548-A1 SQUARAMIDE DERIVATIVES AS CB1 ALLOSTERIC MODULATORS RESEARCH TRIANGLE INSTITUTE (US) 2023-12-07 WO disclosed
EP-3808751-A1 CAMPTOTHECIN DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Marine Biomedical Research Institute Of Qingdao Co., Ltd. (CN) 2021-04-21 EP disclosed
WO-2019238046-A1 CAMPTOTHECIN DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 青岛海洋生物医药研究院股份有限公司 2019-12-19 WO disclosed
US-9061008-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2015-06-23 US disclosed
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
US-20100324009-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-23 US disclosed
US-20100317644-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2010-12-16 US disclosed
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS GRUENENTHAL GMBH (DE) 2008-06-26 US disclosed
US-7300936-B2 α-(N-sulfonamido)acetamide derivatives as β-amyloid inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-27 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 (4 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-20100317644-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CHKA 4252/4885BRS3 486/4885SMN1; SMN2 45/4885
US-20100324009-A1 Substituted Sulfonamide Compounds SULT2A1, STS, SULT1A1 CHKA 4252/4885BRS3 486/4885SMN1; SMN2 45/4885
US-20080153843-A1 SUBSTITUTED SULFONAMIDE COMPOUNDS SULT2A1, STS, SULT1A1 CHKA 4252/4885BRS3 486/4885SMN1; SMN2 45/4885
US-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA CHKA 1337/4885BRS3 1909/4885SMN1; SMN2 4237/4885

“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.