SCHEMBL3607814

SCHEMBL3607814

N#Cc1ccc(NN)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.47
IMPDH1 P20839 2/20 0.47
AR P10275 6/20 0.43
SLC22A12 Q96S37 4/20 0.38
IDH1 O75874 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP19A1 P11511 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL10781954 0.80 IDO1 (0.52) IMPDH2IMPDH1ARSLC22A12KDM4E
SCHEMBL29489135 0.80 IMPDH2 (0.64) IMPDH2IMPDH1ARSLC22A12KDM4E
SCHEMBL151936 0.80 IMPDH2 (0.64) IMPDH2IMPDH1ARSLC22A12KDM4E
SCHEMBL13611705 0.78 PABPC1 (0.51) IMPDH2IMPDH1ARSLC22A12IDH1
SCHEMBL5241397 0.78 GAA (0.51) IMPDH2IMPDH1ARSLC22A12KDM4E
SCHEMBL11193357 0.78 IMPDH2 (0.61) IMPDH2IMPDH1ARSLC22A12KDM4E
SCHEMBL28191022 0.77 MAPT (0.43) IMPDH2IMPDH1ARSLC22A12KDM4E
SCHEMBL13448504 0.76 IDO1 (0.56) IMPDH2IMPDH1ARSLC22A12IDH1
SCHEMBL11228244 0.75 IMPDH2 (0.59) IMPDH2IMPDH1ARKDM4EGAA
SCHEMBL12343769 0.74 IDO1 (0.46) IMPDH2IMPDH1ARSLC22A12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114874197-B Viscosity fluorescent probe capable of targeting multiple organelles 郑州大学 2023-04-25 CN disclosed
EP-1553074-B1 FUSED BENZENE DERIVATIVE AND USE TAKEDA PHARMACEUTICAL (JP) 2014-06-18 EP disclosed
US-7649001-B2 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-19 US disclosed
US-20060106067-A1 Fused benzene derivative and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-18 US disclosed
CN-1688527-A Fused benzene derivatives and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-10-26 CN disclosed
EP-1553074-A1 FUSED BENZENE DERIVATIVE AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP disclosed
EP-0894799-B1 INDOLOMORPHINANE DERIVATIVES AND REMEDIES/PREVENTIVES FOR CEREBRAL DISORDERS TORAY INDUSTRIES (JP) 2004-04-07 EP disclosed
US-6156762-A Indolomorphinan derivative and agent for curing and preventing cerebral disorder TORAY INDUSTRIES, INC. (JP) 2000-12-05 US disclosed
EP-0647629-B1 Neurotensin active substituted 1-naphthylpyrazole-3-carboxamides, their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1999-07-07 EP disclosed
EP-0894799-A1 INDOLOMORPHINANE DERIVATIVES AND REMEDIES/PREVENTIVES FOR CEREBRAL DISORDERS TORAY INDUSTRIES, INC. (JP) 1999-02-03 EP disclosed
US-5585497-A USEFUL IN TREATMENT OF NEUROPSYCHIATRIC DISORDERS, ESPECIALLY THOSE ASSOCIATED WITH A DYSFUNCTION OF THE DOPAMINERGIC SYSTEMS SANOFI (FR) 1996-12-17 US disclosed
US-5523455-A PREPARED USING A NAPHTHYLHYDRAZINE CHEMICAL INTERMEDIATE SANOFI (FR) 1996-06-04 US disclosed
US-5502059-A DOPAMINERGIC DYSFUNCTION DISORDERS SANOFI (FR) 1996-03-26 US disclosed
EP-0647629-A1 Neurotensin active substituted 1-naphthylpyrazole-3-carboxamides, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1995-04-12 EP 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-20060106067-A1 Fused benzene derivative and use AR, NR5A1, CBR3 IMPDH2 4239/4885IMPDH1 4294/4885AR 1/4885

“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.