SCHEMBL3655141

SCHEMBL3655141

O=C(c1ccccc1)c1cc(Cl)ncn1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 4/20 0.45
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMO O15229 3/20 0.42
CNR2 P34972 3/20 0.42
GLA P06280 1/20 0.41
KCNMA1 Q12791 1/20 0.40
SRD5A2 P31213 1/20 0.39
CNR1 P21554 1/20 0.39
MMP13 P45452 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
SCHEMBL28242027 0.82 KMO (0.40) KMT2AMEN1KMO
SCHEMBL3658616 0.79 SRD5A2 (0.50) KMT2AMEN1ALDH1A1HPGDNPC1
SCHEMBL10172455 0.79 HPGD (0.54) KMT2AMEN1ALDH1A1HPGDNPC1
SCHEMBL3653195 0.77 SMN1; SMN2 (0.47) KMT2AMEN1ALDH1A1TDP1HPGD
SCHEMBL3034461 0.77 KMO (0.56) ALDH1A1MAPTKMO
SCHEMBL4227036 0.76 KMT2A (0.57) KMT2AMEN1ALDH1A1ATMTDP1
SCHEMBL6525636 0.76 KMO (0.36) ALDH1A1L3MBTL1SMN1; SMN2KMOMMP13
SCHEMBL3660021 0.76 GLRA1 (0.45) KMT2AMEN1L3MBTL1HPGD
SCHEMBL5700413 0.75 KMT2A (0.59) KMT2AMEN1ALDH1A1ATMTDP1
SCHEMBL21166259 0.75 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1ATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205590-B1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-06-04 EP disclosed
US-8629137-B2 CGRP antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-8629137-B2 CGRP antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-8629137-B2 CGRP antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20130029975-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20130029975-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20110059954-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-10 US disclosed
US-20110059954-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-10 US disclosed
US-20110059954-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-10 US disclosed
EP-2205590-A1 CGRP ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-07-14 EP disclosed
WO-2009050232-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 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-20110059954-A1 CGRP ANTAGONISTS CALCRL, CALCR, CALCA KMT2A 4817/4885MEN1 1086/4885ALDH1A1 1292/4885
US-20130029975-A1 CGRP ANTAGONISTS CALCRL, CALCR, CALCA KMT2A 4817/4885MEN1 1086/4885ALDH1A1 1292/4885

“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.