SCHEMBL16148285

SCHEMBL16148285

O=C(O)c1ccc(NCc2cccc(-c3nc4ccccc4[nH]3)c2)cc1-c1ncc[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.53
SMN1; SMN2 Q16637 7/20 0.53
ALDH1A1 P00352 5/20 0.53
RAB9A P51151 4/20 0.53
NPC1 O15118 4/20 0.53
HPGD P15428 3/20 0.53
HTT P42858 1/20 0.53
MMP2 P08253 5/20 0.48
MMP9 P14780 4/20 0.48
MMP8 P22894 4/20 0.48
MAPT P10636 6/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 4/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MMP13 P45452 4/20 0.47
COMT P21964 1/20 0.45
PIM1 P11309 1/20 0.45
PIM3 Q86V86 1/20 0.45

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
SCHEMBL16147230 0.93 KDM4E (0.55) KDM4ESMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL16147338 0.84 KDM4E (0.70) KDM4ESMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL16147995 0.84 KDM4E (0.70) KDM4ESMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL16147499 0.84 MMP2 (0.64) KDM4ESMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL16147779 0.83 NPC1 (0.60) KDM4ESMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL16147564 0.81 KMT2A (0.54) KDM4ESMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL16147869 0.80 KDM4E (0.63) KDM4ESMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL17498742 0.80 MAPT (0.67) KDM4ESMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL17498826 0.78 RAB9A (0.46) KDM4ESMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL17498779 0.77 KDM4E (0.66) KDM4ESMN1; SMN2ALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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 KDM4E 1575/4885SMN1; SMN2 106/4885ALDH1A1 2392/4885

“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.