SCHEMBL315662

SCHEMBL315662

CCOc1cc(Cl)ccc1N

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.66
MAPT P10636 3/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
HPGD P15428 2/20 0.66
HSD17B10 Q99714 2/20 0.66
KDM4E B2RXH2 2/20 0.66
POLB P06746 2/20 0.66
MAPK1 P28482 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
TSHR P16473 4/20 0.47
CYP3A4 P08684 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALOX15 P16050 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
HTR2A P28223 1/20 0.45
NPC1 O15118 2/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL3784669 0.85 MAPT (0.51) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL3794233 0.84 MAPT (0.68) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL3785269 0.83 CYP1A2 (0.58) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL29684233 0.82 CYP1A2 (0.51) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL2525158 0.81 TSHR (0.56) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL8232189 0.80 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL15716191 0.79 HTR2C (0.49) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL29684472 0.79 HTR2C (0.49) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL1311327 0.79 TSHR (0.50) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL29483410 0.79 TSHR (0.50) ALDH1A1MAPTMEN1KMT2AHPGD

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4288362-A Monoazo pigments containing a quinazo linonylacetoacetanilide coupling component BAYER AKTIENGESELLSCHAFT (DE) 1981-09-08 US claimed
US-20150133426-A1 SUBSTITUTED PYRROLOPYRIMIDINES Bayer Pharma AG (DE) 2015-05-14 US disclosed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
CN-1898244-B Triazole derivatives as vasopressin antagonists PFIZER 2011-06-22 CN disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
US-4421601-A LACQUERS, INKS, PAINTS, TEXTILES, PAPER BAYER AKTIENGESELLSCHAFT (DE) 1983-12-20 US disclosed
US-4401603-A CHLORINATION OF THE SOLUTION OR SUSPENSION FORMED BY THE FORMYLATION OF AN ARYLAMINE IN A SOLVENT CASSELLA AKTIENGESELLSCHAFT (DE) 1983-08-30 US disclosed
EP-0073404-A1 Process for making arylisocyanide dichlorides CASSELLA Aktiengesellschaft (DE) 1983-03-09 EP disclosed
US-4288362-A Monoazo pigments containing a quinazo linonylacetoacetanilide coupling component BAYER AKTIENGESELLSCHAFT (DE) 1981-09-08 US disclosed
US-4260540-A SPIN DYEING POLYACRYLONITRILE BAYER AKTIENGESELLSCHAFT (DE) 1981-04-07 US disclosed
US-4246401-A Axomethine pigments BAYER AKTIENGESELLSCHAFT (DE) 1981-01-20 US disclosed
US-4246267-A HYPOTENSIVE AGENTS SCIENCE UNION ET CIE (FR) 1981-01-20 US disclosed
US-4225489-A Heterocyclic azo dyes and pigments containing 4-quinazolinone moieties BAYER AKTIENGESELLSCHAFT (DE) 1980-09-30 US disclosed
EP-0008627-A2 Quinazoline derivatives, azo dyes derived from the quinazolines and their use as pigments BAYER AG (DE) 1980-03-19 EP disclosed
US-4014863-A LACQUERS, PRINTING INKS, PAINTS BAYER AKTIENGESELLSCHAFT (DT) 1977-03-29 US 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-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 ALDH1A1 2031/4885MAPT 4518/4885MEN1 1081/4885
US-20150133426-A1 SUBSTITUTED PYRROLOPYRIMIDINES DPYD, VEGFA, FLT1 ALDH1A1 839/4885MAPT 2679/4885MEN1 857/4885

“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.