SCHEMBL714592

SCHEMBL714592

O=C=NCCc1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2D6 P10635 1/20 0.46
MTNR1A P48039 2/20 0.45
NQO2 P16083 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
CYP2C9 P11712 1/20 0.44
ACP3 P15309 1/20 0.43
DAO P14920 2/20 0.42
CA2 P00918 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
CDYL Q9Y232 1/20 0.40

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
SCHEMBL29825535 1.00 CYP1A2 (0.46) CYP1A2CYP2C19CYP2D6MTNR1ANQO2
SCHEMBL7104796 0.92 CYP1A2 (0.44) CYP1A2CYP2C19CYP2D6MTNR1ANQO2
SCHEMBL11431707 0.90 CYP1A2 (0.43) CYP1A2CYP2C19CYP2D6MTNR1ANQO2
SCHEMBL3720960 0.85 KDM4E (0.37) CYP1A2MTNR1ANQO2DAOALDH1A1
SCHEMBL18204484 0.85 L3MBTL1 (0.39) CYP1A2CYP2C19CYP2D6MTNR1ANQO2
SCHEMBL29846915 0.82 MIF (0.39)
SCHEMBL111243 0.82 MIF (0.39)
SCHEMBL7525986 0.82 KEAP1 (0.53) CYP1A2CYP2C19CYP2D6MTNR1ANQO2
SCHEMBL1848951 0.81 CYP1A2 (0.48) CYP1A2CYP2C19CYP2D6MTNR1ANQO2
SCHEMBL3713612 0.79 KMT2A (0.54) CYP1A2CYP2D6TDP1MEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116217444-A Photo-generated chiral radical molecule with circularly polarized luminescence property based on triarylamine derivative 中国科学院化学研究所 2023-06-06 CN claimed
CN-115243789-A Catalyst composition for polyurethane 迈图高新材料公司 2022-10-25 CN claimed
CN-115210283-A Catalysts for polyurethane formation 迈图高新材料公司 2022-10-18 CN claimed
EP-3612581-B1 CATALYSTS FOR PRODUCING POLYURETHANES MOMENTIVE PERFORMANCE MAT GMBH (DE) 2020-12-23 EP claimed
CN-110891994-A Catalyst for producing polyurethane 莫门蒂夫性能材料有限公司 2020-03-17 CN claimed
WO-2010112946-A1 ADAMANTANE BISUREA DERIVATIVES, METHOD OF PREPARATION AND APPLICATION IN ANION SENSING RUDJER BOSKOVIC INSTITUTE (HR) 2010-10-07 WO claimed
EP-2183217-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF Boehringer Ingelheim International GmbH (DE) 2010-05-12 EP claimed
EP-2170805-A2 METHODS OF SYNTHESIZING CINACALCET AND SALTS THEREOF Amgen Inc. (US) 2010-04-07 EP claimed
US-7674842-B2 Phase change inks containing curable isocyanate-derived compounds and phase change inducing components XEROX CORPORATION (US) 2010-03-09 US claimed
US-7572845-B2 Phase change inks XEROX CORPORATION (US) 2009-08-11 US claimed
US-20040215002-A1 Colorant compositions XEROX CORPORATION 2004-10-28 US claimed
US-20040215038-A1 Colorant precursor compositions XEROX CORPORATION 2004-10-28 US claimed
US-20040215022-A1 Colorant compositions XEROX CORPORATION 2004-10-28 US claimed
US-20040214918-A1 Colorant compositions XEROX CORPORATION 2004-10-28 US claimed
US-6790267-B1 METHINE COLORANT COMPOUNDS FOR PHASE CHANGE INKS XEROX CORPORATION 2004-09-14 US claimed
US-20040167249-A1 Phase change inks with isocyanate-derived antioxidants and UV stabilizers XEROX CORPORATION 2004-08-26 US claimed
US-6764541-B1 Colorant compositions XEROX CORPORATION 2004-07-20 US claimed
US-6652635-B2 Cyan phase change inks XEROX CORPORATION 2003-11-25 US claimed
US-20030079645-A1 Cyan phase change inks XEROX CORPORATION 2003-05-01 US claimed
EP-0566567-A1 ANTIHYPERTENSIVE BENZOPYRAN DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1993-10-27 EP claimed

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-20040215022-A1 Colorant compositions ARSA, TST, IK CYP1A2 1975/4885CYP2C19 2370/4885CYP2D6 2518/4885
US-20040215038-A1 Colorant precursor compositions RB1, SULT1A1, CBR1 CYP1A2 87/4885CYP2C19 805/4885CYP2D6 662/4885

“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.