SCHEMBL10141246

SCHEMBL10141246

Cc1ccc(-c2ccc(C(C)C)cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
EGLN1 Q9GZT9 2/20 0.44
HPGDS O60760 1/20 0.43
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
TP53 P04637 2/20 0.39
NOTUM Q6P988 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
USP1 O94782 1/20 0.39
WDR48 Q8TAF3 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
SCHEMBL17051516 0.84 HPGDS (0.54) HPGDSNPC1RAB9APIK3CDPIK3CA
SCHEMBL179333 0.82 LMNA (0.50) LMNAMEN1KMT2AHPGDSNPC1
SCHEMBL676678 0.82 HPGDS (0.56) HPGDSNPC1RAB9APIK3CDPIK3CA
SCHEMBL11994377 0.81 HDAC3 (0.42) LMNAMEN1KMT2AEGLN1NPC1
SCHEMBL24721140 0.80 RXRA (0.49) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL14463185 0.80 HPGDS (0.38) LMNAMEN1KMT2AHPGDSPIK3CD
SCHEMBL10313050 0.79 HPGDS (0.43) LMNAMEN1KMT2AHPGDSNPC1
SCHEMBL889387 0.79 EGLN1 (0.44) LMNAMEN1KMT2AEGLN1NPC1
SCHEMBL27435742 0.79 EGLN1 (0.44) LMNAEGLN1NPC1RAB9ASMN1; SMN2
SCHEMBL13886044 0.78 ALDH1A1 (0.56) MEN1KMT2AHPGDSNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802904-B2 Inhibitors of the USP1/UAF1 deubiquitinase complex and uses thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-10-31 US disclosed
US-9802904-B2 Inhibitors of the USP1/UAF1 deubiquitinase complex and uses thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-10-31 US disclosed
US-9763922-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2017-09-19 US disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-20150344443-A1 INHIBITORS OF THE USP1/UAF1 DEUBIQUITINASE COMPLEX AND USES THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN (US) 2015-12-03 US disclosed
US-20120076755-A1 Hepatitis C Virus Inhibitors ENANTA PHARMACEUTICALS, INC. 2012-03-29 US disclosed
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-08-04 US disclosed
US-20110064696-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 US disclosed
US-7361654-B2 Substituted heteroaryl amide modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB CO. (US) 2008-04-22 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-20120039848-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 LMNA 2800/4885MEN1 4782/4885KMT2A 2957/4885
US-20110189129-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, HCCS, NSUN2 LMNA 886/4885MEN1 4836/4885KMT2A 1664/4885
US-20150344443-A1 INHIBITORS OF THE USP1/UAF1 DEUBIQUITINASE COMPLEX AND USES THEREOF USP1, UHRF1, UBQLN1 LMNA 3488/4885MEN1 3189/4885KMT2A 1825/4885
US-20120076755-A1 Hepatitis C Virus Inhibitors NSUN2, HCCS, HAVCR2 LMNA 821/4885MEN1 4835/4885KMT2A 1725/4885
US-20110064696-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 LMNA 2791/4885MEN1 4817/4885KMT2A 2992/4885

“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.