SCHEMBL184737

SCHEMBL184737

CC(N)c1ccc(Nc2ccc(OC(F)F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 4/20 0.43
ALDH1A1 P00352 4/20 0.43
TEAD4 Q15561 1/20 0.43
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 2/20 0.40
GALR2 O43603 2/20 0.40
GALR1 P47211 1/20 0.40
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL957779 0.89 ADRB2 (0.46) ROCK1MEN1KMT2AMAPTALDH1A1
SCHEMBL3647104 0.89 ADRB2 (0.46) ROCK1MEN1KMT2AMAPTALDH1A1
Hydrochloric Acid SCHEMBL4934770 0.87 ADRB2 (0.45) ROCK1MEN1KMT2AMAPTALDH1A1
Hydrochloric Acid SCHEMBL19362148 0.87 ADRB2 (0.45) ROCK1MEN1KMT2AMAPTALDH1A1
SCHEMBL756549 0.84 ADRB2 (0.42) MEN1KMT2AALDH1A1MAPK1KDM4E
SCHEMBL27870338 0.79 MAPT (0.50) ROCK1MEN1KMT2AMAPTALDH1A1
SCHEMBL27870340 0.79 ALDH1A1 (0.43) ROCK1MEN1KMT2AMAPTALDH1A1
Fluorobenzene SCHEMBL8604973 0.78 KMT2A (0.45) MEN1KMT2AMAPTALDH1A1TEAD4
SCHEMBL21258692 0.76 ALDH1A1 (0.61) ROCK1MEN1KMT2AMAPTALDH1A1
SCHEMBL3720618 0.74 GLA (0.43) MEN1KMT2AMAPTALDH1A1MAPK1

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-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 US disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 ROCK1 401/4885MEN1 314/4885KMT2A 4682/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 ROCK1 401/4885MEN1 314/4885KMT2A 4682/4885

“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.