SCHEMBL2269321

SCHEMBL2269321

O=C(NNc1ccc(Br)cn1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
RAB9A P51151 10/20 0.44
NPC1 O15118 8/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44
TSHR P16473 1/20 0.44
FDPS P14324 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL26016636 0.88 ALDH1A1 (0.50) ALDH1A1ATML3MBTL1RAB9ANPC1
SCHEMBL6543272 0.83 ALDH1A1 (0.55) ALDH1A1ATML3MBTL1RAB9ANPC1
SCHEMBL11395228 0.81 L3MBTL1 (0.53) ALDH1A1L3MBTL1RAB9ANPC1KMT2A
SCHEMBL5253682 0.81 GAA (0.42) ALDH1A1ATML3MBTL1RAB9ANPC1
SCHEMBL938177 0.81 ALDH1A1 (0.46) ALDH1A1ATML3MBTL1RAB9ANPC1
SCHEMBL17961368 0.80 TSHR (0.53) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL15065060 0.79 HCAR3 (0.54)
SCHEMBL2147165 0.78 RAB9A (0.49) ALDH1A1RAB9ANPC1MEN1KMT2A
SCHEMBL20203935 0.78 ALDH1A1 (0.36) ALDH1A1ATML3MBTL1RAB9ANPC1
SCHEMBL245101 0.78 ALDH1A1 (0.42) ALDH1A1ATML3MBTL1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4260767-A ANTIINFLAMMATORY AMERICAN CYANAMID COMPANY (US) 1981-04-07 US claimed
US-8003649-B2 Bicyclic derivatives for use in the treatment of androgen receptor associated conditions-155 ASTRAZENECA AB (SE) 2011-08-23 US disclosed
EP-2235010-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS AstraZeneca AB (SE) 2010-10-06 EP disclosed
US-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 ASTRAZENECA AB (SE) 2010-01-21 US disclosed
WO-2009081197-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS ASTRAZENECA AB (SE) 2009-07-02 WO disclosed
US-4260767-A ANTIINFLAMMATORY AMERICAN CYANAMID COMPANY (US) 1981-04-07 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-20100016279-A1 BICYCLIC DERIVATIVES FOR USE IN THE TREATMENT OF ANDROGEN RECEPTOR ASSOCIATED CONDITIONS-155 AR, NR5A1, CYP17A1 ALDH1A1 806/4885ATM 2302/4885L3MBTL1 4752/4885

“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.