SCHEMBL16148232

SCHEMBL16148232

COc1ccc(-c2ccc(C(C)c3nc4ccccc4[nH]3)cc2)cc1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLKL Q8NB16 4/20 0.45
SCN10A Q9Y5Y9 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
LTC4S Q16873 1/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 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
SCHEMBL16147554 0.81 MLKL (0.44) MLKLSCN10ATSHRMAPTKMT2A
SCHEMBL16148339 0.79 SMN1; SMN2 (0.51) MLKLTP53CYP2C9PTGESALOX5
SCHEMBL16147978 0.77 POLB (0.64) POLBNPC1PKMRAB9A
SCHEMBL16148234 0.77 POLB (0.54) MAPTPOLBNPC1PKMRAB9A
SCHEMBL14770685 0.76 MLKL (0.50) MLKLL3MBTL1TSHRMEN1TP53
SCHEMBL14770650 0.76 AMY1A (0.50) MLKLL3MBTL1TSHRMEN1TP53
SCHEMBL8594223 0.76 MLKL (0.50) MLKLMEN1MAPTMAPK1KMT2A
SCHEMBL14770674 0.75 SMN1; SMN2 (0.56) MLKLTSHRMEN1KMT2APTGES
SCHEMBL16756501 0.72 ALPL (0.58) MLKLTP53ALOX12MAPK1KMT2A
SCHEMBL29123961 0.72 MAOB (0.57)

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 MLKL 4203/4885SCN10A 1993/4885L3MBTL1 1198/4885

“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.