SCHEMBL16147997

SCHEMBL16147997

c1cc(CNc2cccc(-n3cnc4ccccc43)c2)cc(-c2ncc[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
RAB9A P51151 5/20 0.47
HTT P42858 3/20 0.47
HPGD P15428 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KIT P10721 2/20 0.43
FLT3 P36888 2/20 0.43
FGFR1 P11362 5/20 0.42
NPC1 O15118 4/20 0.42
PRKCI P41743 1/20 0.42
GAA P10253 3/20 0.41
GFER P55789 1/20 0.41
LCK P06239 1/20 0.41

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
SCHEMBL16147335 0.96 KDM4E (0.47) KDM4EALDH1A1RAB9AHTTHPGD
SCHEMBL17498782 0.91 KDM4E (0.50) KDM4EALDH1A1RAB9AHTTHPGD
SCHEMBL16147777 0.89 KDM4E (0.47) KDM4EALDH1A1RAB9AHTTHPGD
SCHEMBL16147763 0.83 KIT (0.56) KDM4EALDH1A1RAB9AHTTHPGD
SCHEMBL16147233 0.82 KDM4E (0.43) KDM4EALDH1A1RAB9AHTTHPGD
SCHEMBL17531417 0.82 KDM4E (0.62) KDM4EALDH1A1RAB9AHTTHPGD
SCHEMBL17498797 0.80 VCP (0.47) KDM4EALDH1A1RAB9AHPGDMAPT
SCHEMBL17498826 0.80 RAB9A (0.46) KDM4EALDH1A1RAB9AHTTHPGD
SCHEMBL17531419 0.80 HTT (0.56) KDM4EALDH1A1RAB9AHTTHPGD
SCHEMBL16148236 0.79 MMP2 (0.45) ALDH1A1HTTHPGDMAPTMEN1

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.