SCHEMBL16148264

SCHEMBL16148264

N#Cc1ccc(-c2ccc3c(-c4nc5ccccc5[nH]4)cccc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.49
HPGD P15428 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
LMNA P02545 1/20 0.47
DGAT1 O75907 1/20 0.46
SOAT1 P35610 1/20 0.46
KCNH2 Q12809 1/20 0.46
CHEK2 O96017 1/20 0.45
RHEB Q15382 1/20 0.44
NPC1 O15118 7/20 0.44
RAB9A P51151 7/20 0.44
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 4/20 0.44
HSD17B10 Q99714 3/20 0.44
MAPK1 P28482 1/20 0.44
CHEK1 O14757 1/20 0.44
NPSR1 Q6W5P4 3/20 0.44
PKM P14618 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44

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
SCHEMBL16147543 0.84 CDK4 (0.53) HPGDSMN1; SMN2LMNANPC1RAB9A
SCHEMBL16148144 0.82 AMY1A (0.50) HPGDSMN1; SMN2LMNANPC1RAB9A
SCHEMBL16148089 0.81 SMN1; SMN2 (0.64) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL484587 0.80 NPC1 (0.64) ATRHPGDSMN1; SMN2DGAT1SOAT1
SCHEMBL16148179 0.80 KDM4E (0.63) HPGDSMN1; SMN2LMNACHEK2NPC1
SCHEMBL16148411 0.80 NPC1 (0.49) HPGDSMN1; SMN2LMNANPC1RAB9A
SCHEMBL3337258 0.79 NPC1 (0.66) ATRHPGDSMN1; SMN2DGAT1SOAT1
SCHEMBL22955340 0.79 MAPK10 (0.52) HPGDSMN1; SMN2LMNACHEK2RHEB
SCHEMBL16147621 0.78 AMY1A (0.56) HPGDSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL16147689 0.77 CHEK2 (0.56) ATRHPGDSMN1; SMN2CHEK2RHEB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10617685-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity UNIVERSITY OF MARYLAND, BALTIMORE (US) 2020-04-14 US disclosed
EP-3514147-A1 STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY University of Maryland, Baltimore (US) 2019-07-24 EP disclosed
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-09-21 US disclosed
US-9694005-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-07-04 US disclosed
EP-2991644-A2 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY University of Maryland, Baltimore (US) 2016-03-09 EP disclosed
US-20160038476-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2016-02-11 US disclosed
WO-2014165815-A2 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-10-09 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 (3 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-20160038476-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 ATR 3237/4885HPGD 368/4885SMN1; SMN2 106/4885
US-10617685-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity AR, NR5A1, BRCA1 ATR 3237/4885HPGD 368/4885SMN1; SMN2 106/4885
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 ATR 3237/4885HPGD 368/4885SMN1; SMN2 106/4885

“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.