SCHEMBL17498787

SCHEMBL17498787

COc1ccc(CNc2cccc(-c3nc4ccccc4[nH]3)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 10/20 0.67
KDM4E B2RXH2 8/20 0.67
MAPT P10636 7/20 0.67
NPC1 O15118 5/20 0.67
KMT2A Q03164 5/20 0.67
MEN1 O00255 4/20 0.67
POLB P06746 3/20 0.67
NPSR1 Q6W5P4 1/20 0.67
ALDH1A1 P00352 5/20 0.65
RAB9A P51151 5/20 0.65
HPGD P15428 3/20 0.65
HTT P42858 2/20 0.65
COMT P21964 1/20 0.64
PKM P14618 2/20 0.60
MMP2 P08253 1/20 0.59
MMP13 P45452 1/20 0.59
LMNA P02545 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TP53 P04637 7/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL16148198 0.89 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EMAPTNPC1KMT2A
SCHEMBL16147963 0.87 KDM4E (0.62) SMN1; SMN2KDM4EMAPTNPC1KMT2A
SCHEMBL16148277 0.85 KDM4E (0.65) SMN1; SMN2KDM4EMAPTNPC1KMT2A
SCHEMBL17498768 0.85 KDM4E (0.69) SMN1; SMN2KDM4EMAPTNPC1KMT2A
SCHEMBL16147733 0.85 GAA (0.64) SMN1; SMN2KDM4EMAPTNPC1KMT2A
SCHEMBL16148209 0.84 KDM4E (0.59) SMN1; SMN2KDM4EMAPTNPC1KMT2A
SCHEMBL16147226 0.82 KDM4E (0.65) SMN1; SMN2KDM4EMAPTNPC1KMT2A
SCHEMBL16148389 0.82 KDM4E (0.56) SMN1; SMN2KDM4EMAPTNPC1KMT2A
SCHEMBL16148287 0.81 KDM4E (0.64) SMN1; SMN2KDM4EMAPTNPC1KMT2A
SCHEMBL16147439 0.81 KMT2A (0.59) SMN1; SMN2KDM4EMAPTNPC1KMT2A

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 SMN1; SMN2 106/4885KDM4E 1575/4885MAPT 2604/4885

“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.