SCHEMBL17498740

SCHEMBL17498740

O=C(Nc1ccccc1-n1cnc2ccccc21)c1ccc(C(=O)O)c(-c2ncc[nH]2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
DNM2 P50570 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CA12 O43570 5/20 0.39
CA7 P43166 5/20 0.39
CA4 P22748 4/20 0.39
CA1 P00915 3/20 0.39
SMO Q99835 1/20 0.39
PDE11A Q9HCR9 1/20 0.37
PDE10A Q9Y233 1/20 0.37
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
KMT2A Q03164 2/20 0.37
F2 P00734 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL16149013 0.91 MEN1 (0.45) ALDH1A1LMNAHPGDGAAMAPT
SCHEMBL17498741 0.85 AURKA (0.42) ALDH1A1LMNAHPGDNPC1RAB9A
SCHEMBL16147500 0.84 MEN1 (0.39) ALDH1A1LMNAHPGDMAPTTSHR
SCHEMBL16147231 0.83 LCK (0.38) ALDH1A1LMNAHPGDMAPTPOLB
SCHEMBL16147502 0.82 ORAI1 (0.44) ALDH1A1LMNAHPGDNPC1RAB9A
SCHEMBL17498776 0.79 ALDH1A1 (0.56) ALDH1A1LMNAHPGDGAATSHR
SCHEMBL17498806 0.78 ALDH1A1 (0.56) ALDH1A1LMNAHPGDGAAMAPT
SCHEMBL17498825 0.78 KDM4E (0.42) ALDH1A1LMNAHPGDGAAMAPT
SCHEMBL16147749 0.74 ALDH1A1 (0.56) ALDH1A1LMNAHPGDGAAMAPT
SCHEMBL17498728 0.73 ALDH1A1 (0.56) ALDH1A1LMNAHPGDGAAMAPT

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 ALDH1A1 2392/4885LMNA 674/4885HPGD 368/4885

“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.