SCHEMBL3521057

SCHEMBL3521057

Brc1ccc2c(c1)N=Cc1ccccc1O2

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 11/20 0.65
AHR P35869 3/20 0.53
MAPT P10636 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL8381353 0.88 TRPA1 (0.68) TRPA1AHRMAPTMEN1KMT2A
SCHEMBL19885494 0.80 AHR (0.63) TRPA1AHRMAPTMEN1KMT2A
SCHEMBL3526060 0.79 TRPA1 (0.65) TRPA1AHRMAPTMEN1KMT2A
SCHEMBL8133280 0.79 TRPA1 (0.65) TRPA1MAPTMEN1KMT2AHTT
Dibenzo[B,F][1,4]Oxazepine SCHEMBL123289 0.79 TRPA1 (1.00) TRPA1MAPTMEN1KMT2AHTT
SCHEMBL2307384 0.78 TRPA1 (0.57) TRPA1AHRMAPTMEN1KMT2A
Dibenzo[B,F][1,4]Oxazepine SCHEMBL30601896 0.77 TRPA1 (0.96) TRPA1MAPTMEN1KMT2AHTT
SCHEMBL25215566 0.76 TRPA1 (0.73) TRPA1MAPTMEN1KMT2AHTT
SCHEMBL30311105 0.76 TRPA1 (0.73) TRPA1MAPTMEN1KMT2AHTT
SCHEMBL3525317 0.76 AHR (0.44) TRPA1AHRMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737136-B2 Non-steroidal progesterone receptor modulators N.V. ORGANON (NL) 2010-06-15 US disclosed
US-7737136-B2 Non-steroidal progesterone receptor modulators N.V. ORGANON (NL) 2010-06-15 US disclosed
US-7737136-B2 Non-steroidal progesterone receptor modulators N.V. ORGANON (NL) 2010-06-15 US disclosed
EP-1495030-B1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS ORGANON NV (NL) 2008-08-13 EP disclosed
US-20050171087-A1 Non-steroidal progesterone receptor modulators MERCK SHARP & DOHME B.V. (NL) 2005-08-04 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-20050171087-A1 Non-steroidal progesterone receptor modulators PGR, PGRMC1, PGRMC2 TRPA1 757/4885AHR 1216/4885MAPT 4359/4885

“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.