Sugi Predict

Sugi Predict / Compounds / SCHEMBL1900115

SCHEMBL1900115

SCHEMBL1900115

O=C=Nc1c(Cl)ccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 4/20 0.48
▸ CYP1A2 P05177 4/20 0.42
▸ TDP1 Q9NUW8 4/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRB2 P47870 1/20 0.40
▸ PAX8 Q06710 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HSD17B10 Q99714 4/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HPRT1 P00492 1/20 0.37
▸ HPGD P15428 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ MAOA P21397 1/20 0.35

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
SCHEMBL26121064 0.81 CYP1A2 (0.52) CYP2A6CYP1A2TDP1MAPK1GABRA1
SCHEMBL29500990 0.79 TDP1 (0.41) CYP2A6CYP1A2TDP1MAPK1GABRA1
SCHEMBL28080025 0.79 SENP2 (0.44) CYP2A6CYP1A2TDP1MAPK1GABRA1
SCHEMBL38584 0.79 TDP1 (0.41) CYP2A6CYP1A2TDP1MAPK1GABRA1
SCHEMBL9472282 0.79 GABRA1 (0.59) CYP2A6CYP1A2TDP1GABRA1GABRB2
SCHEMBL7478320 0.78 CYP2A6 (0.58) CYP2A6CYP1A2TDP1MAPK1PAX8
SCHEMBL5582407 0.78 ALDH1A1 (0.39) CYP2A6CYP1A2TDP1MAPK1GABRA1
SCHEMBL1897887 0.78 ALDH1A1 (0.39) CYP2A6CYP1A2TDP1MAPK1GABRA1
SCHEMBL7195938 0.78 THRB (0.54) TDP1MAPK1PAX8ALDH1A1HSD17B10
SCHEMBL31148851 0.78 TSHR (0.48) CYP2A6CYP1A2TDP1MAPK1GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111718282-B Method for preparing isocyanate with low chlorinated impurity content based on salification phosgenation 万华化学集团股份有限公司 2022-08-05 — — CN disclosed
CN-111718282-A Method for preparing isocyanate with low chlorinated impurity content based on salification phosgenation 万华化学集团股份有限公司 2020-09-29 — — CN disclosed
EP-2496549-B1 NEW, NON-CRYSTALLISING METHACRYLATE, ITS MANUFACTURE AND APPLICATION BAYER IP GMBH (DE) 2014-10-08 — — EP disclosed
EP-2496549-A2 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF Bayer MaterialScience AG (DE) 2012-09-12 — — EP disclosed
US-20120219885-A1 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-08-30 — — US disclosed
WO-2011054818-A2 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF BAYER MATERIALSCIENCE AG (DE) 2011-05-12 — — 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 (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-20120219885-A1 NOVEL NON-CRYSTALLIZING METHACRYLATES, PRODUCTION AND USE THEREOF MEP1A, MMAB, RHOA CYP2A6 2328/4885CYP1A2 1551/4885TDP1 2648/4885

“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.