SCHEMBL20893295

SCHEMBL20893295

N#Cc1ccccc1CN=C=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
CYP19A1 P11511 1/20 0.40
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FFAR1 O14842 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
GALR3 O60755 1/20 0.35
RAB9A P51151 1/20 0.35
NOX4 Q9NPH5 1/20 0.35
ALOX15 P16050 1/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAOB P27338 1/20 0.35
NR3C1 P04150 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 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
Water SCHEMBL5172983 0.83 GABRA1 (0.40) ALDH1A1
SCHEMBL29364508 0.81 GABRA1 (0.41) TSHRALDH1A1
SCHEMBL127043 0.81 GABRA1 (0.41) TSHRALDH1A1
Benzene SCHEMBL28107745 0.79 GABRA1 (0.40) ALDH1A1
SCHEMBL28225610 0.79 GABRA1 (0.40) ALDH1A1
SCHEMBL28857199 0.77 GABRA1 (0.33) ALDH1A1MAPTMEN1KMT2ARAB9A
SCHEMBL5945281 0.75 GABRA1 (0.38) ALDH1A1
Propane SCHEMBL28338597 0.75 GABRA1 (0.47) TSHRALDH1A1MAPTKMT2A
SCHEMBL28454008 0.75 GABRA1 (0.38) ALDH1A1
SCHEMBL8763269 0.75 GABRA1 (0.38) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112480363-A Xylylene diisocyanate composition, xylylene diisocyanate modified product composition, two-pack type resin raw material, and resin 三井化学株式会社 2021-03-12 CN claimed
CN-112480364-A Xylylene diisocyanate composition, xylylene diisocyanate modified product composition, two-pack type resin raw material, and resin 三井化学株式会社 2021-03-12 CN claimed
EP-3470393-B1 XYLYLENE DIISOCYANATE COMPOSITION, XYLYLENE DIISOCYANATE MODIFICATION COMPOSITION, TWO-COMPONENT RESIN STARTING MATERIAL, AND RESIN MITSUI CHEMICALS INC (JP) 2021-03-03 EP claimed
CN-112409566-A Xylylene diisocyanate composition, xylylene diisocyanate modified product composition, two-pack type resin raw material, and resin 三井化学株式会社 2021-02-26 CN claimed
CN-112409569-A Xylylene diisocyanate composition, xylylene diisocyanate modified product composition, two-pack type resin raw material, and resin 三井化学株式会社 2021-02-26 CN claimed
CN-112409570-A Xylylene diisocyanate composition, xylylene diisocyanate modified product composition, two-pack type resin raw material, and resin 三井化学株式会社 2021-02-26 CN claimed
CN-109153637-B Xylylene diisocyanate composition, xylylene diisocyanate modified product composition, two-pack type resin raw material, and resin 三井化学株式会社 2020-12-08 CN claimed
US-10640605-B2 Xylylenediisocyanate composition, xylylenediisocyanate-modified composition, two-component resin material, and resin MITSUI CHEMICALS, INC. (JP) 2020-05-05 US claimed
US-20190292304-A1 Xylylenediisocyanate composition, xylylenediisocyanate-modified composition, two-component resin material, and resin MITSUI CHEMICALS, INC. (JP) 2019-09-26 US claimed
US-12503427-B2 Diamine composition, and method of preparing diisocyanate composition SK pucore co., ltd (KR) 2025-12-23 US disclosed
WO-2025041720-A1 POLYISOCYANATE COMPOSITION, POLYMERIZABLE COMPOSITION, RESIN, MOLDED BODY, OPTICAL ELEMENT, AND LENS 三井化学株式会社 2025-02-27 WO disclosed
CN-119331220-A Xylylene diisocyanate composition, xylylene diisocyanate modified composition, polymerizable composition, resin, molded article, optical element, and lens 三井化学株式会社 2025-01-21 CN disclosed
WO-2025005602-A1 ISOCYANATE COMPOSITION COMPRISING CHLORINATED DERIVATIVE, AND OPTICAL RESIN COMPRISING SAME 케이에스랩(주) 2025-01-02 WO disclosed
CN-114787230-B Xylylene diisocyanate composition, xylylene diisocyanate modified product composition, polymerizable composition, and resin 三井化学株式会社 2024-11-08 CN disclosed
US-20200190249-A1 Xylylenediisocyanate composition, xylylenediisocyanate-modified composition, two-component resin material, and resin MITSUI CHEMICALS, INC. (JP) 2020-06-18 US disclosed
US-10640605-B2 Xylylenediisocyanate composition, xylylenediisocyanate-modified composition, two-component resin material, and resin MITSUI CHEMICALS, INC. (JP) 2020-05-05 US disclosed
US-20190292304-A1 Xylylenediisocyanate composition, xylylenediisocyanate-modified composition, two-component resin material, and resin MITSUI CHEMICALS, INC. (JP) 2019-09-26 US disclosed
CN-106459357-B Aromatic nitrile-containing compositions for making transparent polythiourethane articles 科思创德国股份有限公司 2019-07-30 CN disclosed
EP-3470393-A1 XYLYLENE DIISOCYANATE COMPOSITION, XYLYLENE DIISOCYANATE MODIFICATION COMPOSITION, TWO-COMPONENT RESIN STARTING MATERIAL, AND RESIN Mitsui Chemicals, Inc. (JP) 2019-04-17 EP disclosed
CN-106459357-A Aromatic nitrile-containing compositions for making transparent polythiourethane articles 科思创德国股份有限公司 2017-02-22 CN 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-20200190249-A1 Xylylenediisocyanate composition, xylylenediisocyanate-modified composition, two-component resin material, and resin DCXR, SULT1E1, YTHDC1 TSHR 4751/4885CYP19A1 1895/4885ALDH1A1 1627/4885
US-12503427-B2 Diamine composition, and method of preparing diisocyanate composition INCENP, ALKBH5, TET1 TSHR 4271/4885CYP19A1 3738/4885ALDH1A1 2551/4885
US-10640605-B2 Xylylenediisocyanate composition, xylylenediisocyanate-modified composition, two-component resin material, and resin DCXR, SULT1E1, YTHDC1 TSHR 4751/4885CYP19A1 1895/4885ALDH1A1 1627/4885

“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.