SCHEMBL999842

SCHEMBL999842

NNc1cc(NN)cc(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
PKM P14618 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TPMT P51580 3/20 0.42
LMNA P02545 1/20 0.42

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
Hydrochloric Acid SCHEMBL15390559 0.98 CYP1A2 (0.45) CYP1A2MEN1KMT2APOLBL3MBTL1
SCHEMBL136658 0.95 CYP1A2 (0.52) CYP1A2MEN1KMT2APOLBL3MBTL1
Hydrochloric Acid SCHEMBL28348867 0.93 CYP1A2 (0.50) CYP1A2MEN1KMT2APOLBL3MBTL1
SCHEMBL15995224 0.85 POLB (0.47) CYP1A2MEN1KMT2APOLBL3MBTL1
SCHEMBL27606752 0.85 AKR1C3 (0.50) CYP1A2MEN1KMT2APOLBL3MBTL1
Hydrochloric Acid SCHEMBL15995512 0.83 POLB (0.46) CYP1A2MEN1KMT2APOLBL3MBTL1
Hydrochloric Acid SCHEMBL15995197 0.83 POLB (0.46) CYP1A2MEN1KMT2APOLBL3MBTL1
SCHEMBL29766665 0.78 AKR1C3 (0.56) MEN1KMT2AL3MBTL1PKMCA12
SCHEMBL133823 0.78 AKR1C3 (0.56) MEN1KMT2AL3MBTL1PKMCA12
SCHEMBL3654278 0.76 P2RY14 (0.61) MEN1KMT2AMAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9315864-B2 Heteroarylcyanine dyes with sulfonic acid substituents PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2016-04-19 US disclosed
US-9315864-B2 Heteroarylcyanine dyes with sulfonic acid substituents PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2016-04-19 US disclosed
US-20140080127-A1 HETEROARYLCYANINE DYES PACIFIC BIOSCIENCES OF CALIFORNIA, INC. (US) 2014-03-20 US disclosed
US-7868135-B2 Compositions of lipopeptide antibiotic derivatives and methods of use thereof BIOWEST THERAPEUTICS INC. (CA) 2011-01-11 US disclosed
EP-2147925-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2010-01-27 EP disclosed
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 US disclosed
EP-1656390-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2006-05-17 EP disclosed
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2005-07-14 US disclosed
WO-2005000878-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2005-01-06 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 (3 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 CYP1A2 3094/4885MEN1 4687/4885KMT2A 3406/4885
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 CYP1A2 4441/4885MEN1 3085/4885KMT2A 4429/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH CYP1A2 4344/4885MEN1 3230/4885KMT2A 1805/4885

“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.