SCHEMBL16158488

SCHEMBL16158488

c1cc(-c2ccc3cc(-n4ccnc4)ccc3c2)cc(-n2cnc3ccccc32)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.53
CYP11B2 P19099 2/20 0.53
CYP19A1 P11511 2/20 0.53
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
FGFR1 P11362 4/20 0.48
KMT2A Q03164 3/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
PTK2B Q14289 1/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
MEN1 O00255 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL20510883 0.86 FGFR1 (0.58) CYP11B1CYP11B2CYP19A1FGFR1HTT
SCHEMBL16158580 0.83 CYP19A1 (0.56) CYP11B1CYP11B2CYP19A1MAOAMAOB
SCHEMBL16158486 0.83 FGFR1 (0.59) FGFR1KMT2AMAPTNPSR1PTK2B
SCHEMBL2646699 0.81 KDR (0.54) MAOAMAOBFGFR1KMT2AMAPT
SCHEMBL2646402 0.80 GABRA1 (0.55) CYP11B1CYP11B2CYP19A1MAOAMAOB
SCHEMBL16158504 0.79 FGFR1 (0.61) CYP11B1CYP11B2CYP19A1FGFR1HTT
SCHEMBL16158487 0.79 FGFR1 (0.55) FGFR1KMT2AMAPTNPSR1PTK2B
SCHEMBL16147532 0.79 FGFR1 (0.68) FGFR1KMT2AMAPTNPSR1PTK2B
SCHEMBL17531401 0.78 CYP11B1 (0.57) CYP11B1CYP11B2CYP19A1MAOAMAOB
SCHEMBL16158495 0.78 RAB9A (0.47) CYP11B1CYP11B2CYP19A1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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
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 (2 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-10617685-B2 Nonsteroidal and steroidal compounds with potent androgen receptor down-regulation and anti prostate cancer activity AR, NR5A1, BRCA1 CYP11B1 24/4885CYP11B2 52/4885CYP19A1 47/4885
US-20170266181-A1 NONSTEROIDAL AND STEROIDAL COMPOUNDS WITH POTENT ANDROGEN RECEPTOR DOWN-REGULATION AND ANTI PROSTATE CANCER ACTIVITY AR, NR5A1, BRCA1 CYP11B1 24/4885CYP11B2 52/4885CYP19A1 47/4885

“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.