SCHEMBL185188

SCHEMBL185188

NCc1ccc(Nc2ccc(Br)cc2Cl)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
ALDH1A1 P00352 6/20 0.38
GAA P10253 3/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 1/20 0.37
SRC P12931 1/20 0.36
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 3/20 0.35
GLA P06280 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL185862 0.86 DHODH (0.42) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL185800 0.86 MAPK1 (0.42) KMT2AMEN1ALDH1A1GAARAB9A
SCHEMBL27870330 0.84 CCR5 (0.33) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL185996 0.84 TDO2 (0.41) KMT2AMEN1ALDH1A1GAAHTT
SCHEMBL186066 0.80 OPRM1 (0.37) STK17BSTK17AKDR
SCHEMBL185565 0.77 STK17A (0.34) MAPK1STK17BSTK17A
SCHEMBL185779 0.75 SRC (0.46) KMT2AMEN1CTDSP1ALDH1A1GAA
SCHEMBL18202751 0.75 LOXL2 (0.32)
Trifluoroacetic Acid SCHEMBL2807624 0.74 MPO (0.38) KDR
Trifluoroacetic Acid SCHEMBL186045 0.74 MAPT (0.41) KMT2AMEN1ALDH1A1GAAMAPT

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-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
CN-102414177-A Compounds as bradykinin b1 antagonists BOEHRINGER INGELHEIM INT 2012-04-11 CN 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 KMT2A 4682/4885MEN1 314/4885CTDSP1 4271/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 KMT2A 4682/4885MEN1 314/4885CTDSP1 4271/4885

“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.