SCHEMBL16147233

SCHEMBL16147233

O=C(O)c1ccc(CNc2cccc(-n3cnc4ccccc43)c2)cc1-c1ncc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 3/20 0.43
HTT P42858 2/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KIT P10721 2/20 0.42
FLT3 P36888 2/20 0.42
FGFR1 P11362 5/20 0.39
NPC1 O15118 3/20 0.39
GAA P10253 3/20 0.39
GFER P55789 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38

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
SCHEMBL17498826 0.93 RAB9A (0.46) KDM4EALDH1A1RAB9AMAPTHTT
SCHEMBL17498741 0.84 AURKA (0.42) ALDH1A1RAB9AHPGDSMN1; SMN2FGFR1
SCHEMBL16147231 0.84 LCK (0.38) KDM4EALDH1A1MAPTHPGDTDP1
SCHEMBL17498782 0.83 KDM4E (0.50) KDM4EALDH1A1RAB9AMAPTHTT
SCHEMBL16147763 0.83 KIT (0.56) KDM4EALDH1A1RAB9AMAPTHTT
SCHEMBL16147997 0.82 KDM4E (0.47) KDM4EALDH1A1RAB9AMAPTHTT
SCHEMBL16147502 0.82 ORAI1 (0.44) ALDH1A1RAB9AHPGDSMN1; SMN2FGFR1
SCHEMBL17498825 0.81 KDM4E (0.42) KDM4EALDH1A1RAB9AMAPTHTT
SCHEMBL16147335 0.80 KDM4E (0.47) KDM4EALDH1A1RAB9AMAPTHTT
SCHEMBL16147442 0.80 KIT (0.61) KDM4EALDH1A1RAB9AMAPTHTT

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 1575/4885ALDH1A1 2392/4885RAB9A 4339/4885

“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.