SCHEMBL3201438

SCHEMBL3201438

COc1ccc(COc2ccc(C(=O)NN)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 1.00
MAPT P10636 6/20 1.00
HTT P42858 1/20 1.00
MAPK1 P28482 1/20 0.78
CA1 P00915 1/20 0.75
CA2 P00918 1/20 0.75
NPC1 O15118 5/20 0.70
RAB9A P51151 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
KDM4E B2RXH2 2/20 0.70
LMNA P02545 1/20 0.70
POLB P06746 1/20 0.69
FFAR1 O14842 2/20 0.62
PLA2G4B P0C869 1/20 0.61
TP53 P04637 1/20 0.59
PARP10 Q53GL7 1/20 0.58
SMPD1 P17405 1/20 0.57
MAOB P27338 1/20 0.57

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
SCHEMBL14924487 0.88 MAPT (1.00) ALDH1A1MAPTHTTMAPK1CA1
SCHEMBL4754917 0.88 ALDH1A1 (0.78) ALDH1A1MAPTHTTMAPK1CA1
SCHEMBL407188 0.87 CA1 (1.00) ALDH1A1MAPTHTTCA1CA2
Hydrochloric Acid SCHEMBL4259929 0.85 CA1 (0.96) ALDH1A1MAPTHTTCA1CA2
SCHEMBL28593279 0.84 MAPT (0.73) ALDH1A1MAPTHTTMAPK1NPC1
SCHEMBL863916 0.84 ALDH1A1 (0.88) ALDH1A1MAPTHTTMAPK1NPC1
SCHEMBL3729907 0.84 NPC1 (0.75) ALDH1A1MAPTHTTCA1CA2
SCHEMBL12339549 0.84 PARP10 (0.83) ALDH1A1MAPTHTTCA1CA2
SCHEMBL21915125 0.82 ALDH1A1 (0.70) ALDH1A1MAPTHTTMAPK1CA1
SCHEMBL365645 0.82 ALDH1A1 (0.70) ALDH1A1MAPTHTTMAPK1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8629167-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2014-01-14 US disclosed
US-8629167-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2014-01-14 US disclosed
US-20130116288-A1 Selective Androgen Receptor Modulators RADIUS HEALTH, INC. (US) 2013-05-09 US disclosed
US-20130116288-A1 Selective Androgen Receptor Modulators RADIUS HEALTH, INC. (US) 2013-05-09 US disclosed
US-8268872-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2012-09-18 US disclosed
US-8268872-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2012-09-18 US disclosed
US-8268872-B2 Selective androgen receptor modulators RADIUS HEALTH, INC. (US) 2012-09-18 US disclosed
US-20100041721-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH, INC. (US) 2010-02-18 US disclosed
US-20100041721-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH, INC. (US) 2010-02-18 US disclosed
US-20100041721-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH, INC. (US) 2010-02-18 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 (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-20100041721-A1 SELECTIVE ANDROGEN RECEPTOR MODULATORS AR, SHBG, IGF1R ALDH1A1 809/4885MAPT 2763/4885HTT 1662/4885
US-20130116288-A1 Selective Androgen Receptor Modulators AR, SHBG, IGF1R ALDH1A1 691/4885MAPT 2940/4885HTT 1686/4885

“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.