SCHEMBL16147271

SCHEMBL16147271

COc1cccc(-c2ccc(CCc3nc4ccccc4[nH]3)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.64
SMN1; SMN2 Q16637 5/20 0.59
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
ALDH1A1 P00352 2/20 0.59
TP53 P04637 2/20 0.59
NTRK2 Q16620 4/20 0.55
HTT P42858 1/20 0.54
MAOB P27338 2/20 0.53
POLB P06746 2/20 0.53
MAPK1 P28482 1/20 0.53
MAPT P10636 1/20 0.51
DRD4 P21917 1/20 0.51
GRIN1 Q05586 1/20 0.50
GRIN2B Q13224 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 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
SCHEMBL16147970 0.89 GRIN1 (0.63) NTRK1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL16147080 0.81 RAB9A (0.61) NTRK1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL8594225 0.80 NTRK1 (0.65) NTRK1SMN1; SMN2NPC1RAB9ANTRK2
SCHEMBL16148234 0.79 POLB (0.54) NTRK1SMN1; SMN2NPC1RAB9ANTRK2
SCHEMBL16147142 0.79 RAB9A (0.57) NTRK1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL20103646 0.79 NTRK1 (1.00) NTRK1SMN1; SMN2NPC1RAB9ANTRK2
SCHEMBL16148193 0.78 NPC1 (0.60) NTRK1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL25334690 0.77 NPC1 (0.64) NTRK1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL27681975 0.77 SMN1; SMN2 (0.67) NTRK1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL32680055 0.77 NPC1 (0.64) NTRK1SMN1; SMN2NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 NTRK1 2181/4885SMN1; SMN2 106/4885NPC1 1426/4885
US-10617685-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity AR, NR5A1, BRCA1 NTRK1 2181/4885SMN1; SMN2 106/4885NPC1 1426/4885
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 NTRK1 2181/4885SMN1; SMN2 106/4885NPC1 1426/4885

“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.