SCHEMBL17498741

SCHEMBL17498741

O=C(Nc1cccc(-n2cnc3ccccc32)c1)c1ccc(C(=O)O)c(-c2ncc[nH]2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.42
KDR P35968 1/20 0.42
AURKB Q96GD4 1/20 0.42
FGFR1 P11362 9/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
ORAI1 Q96D31 1/20 0.40
PIK3C3 Q8NEB9 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 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
SCHEMBL16147502 0.94 ORAI1 (0.44) AURKAKDRAURKBFGFR1NPC1
SCHEMBL17498756 0.86 FGFR1 (0.46) AURKAKDRAURKBFGFR1ORAI1
SCHEMBL17498797 0.85 VCP (0.47) AURKAKDRAURKBFGFR1NPC1
SCHEMBL17498838 0.85 FGFR1 (0.46) AURKAKDRAURKBFGFR1NPC1
SCHEMBL17498740 0.85 ALDH1A1 (0.44) NPC1RAB9AORAI1ALDH1A1HPGD
SCHEMBL16147233 0.84 KDM4E (0.43) AURKAKDRAURKBFGFR1NPC1
SCHEMBL16147500 0.81 MEN1 (0.39) AURKAKDRAURKBNPC1RAB9A
SCHEMBL17498826 0.81 RAB9A (0.46) AURKAKDRAURKBFGFR1NPC1
SCHEMBL16158509 0.80 FGFR1 (0.57) AURKAKDRAURKBFGFR1NPC1
SCHEMBL17498780 0.79 FGFR1 (0.51) AURKAKDRAURKBFGFR1NPC1

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 3 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
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

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 AURKA 3112/4885KDR 4092/4885AURKB 1624/4885

“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.