SCHEMBL2356320

SCHEMBL2356320

Nc1ccccc1C(N)(N)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 4/20 0.48
ALOX15 P16050 2/20 0.43
CYP3A4 P08684 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 1/20 0.37
TSHR P16473 5/20 0.36
KIF11 P52732 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL17251709 0.87 KIF11 (0.45) KCNN4ALOX15CYP3A4CASP1CASP7
SCHEMBL3132847 0.84 KCNN4 (0.42) KCNN4ALOX15CYP3A4CASP1CASP7
SCHEMBL572998 0.83 KCNN4 (0.59) KCNN4ALOX15CYP3A4CASP1CASP7
SCHEMBL7806575 0.80 ALOX15 (0.43) KCNN4ALOX15CYP3A4CASP1CASP7
SCHEMBL11043875 0.80 ALOX15 (0.43) KCNN4ALOX15CYP3A4CASP1CASP7
SCHEMBL10636658 0.79 KCNN4 (0.42) KCNN4ALOX15CYP3A4CASP1CASP7
SCHEMBL10510801 0.79 KCNN4 (0.42) KCNN4ALOX15CYP3A4CASP1CASP7
SCHEMBL30940020 0.78 ALOX15 (0.41) KCNN4ALOX15CYP3A4CASP1CASP7
SCHEMBL3751989 0.76 CYP3A4 (0.45) KCNN4ALOX15CYP3A4CASP1CASP7
SCHEMBL5409173 0.76 CYP3A4 (0.39) KCNN4ALOX15CYP3A4CASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11029635-A None JP disclosed
JP-10001461-A None JP disclosed
CN-113754346-A Radar stealth board surface damage repair material and repair method 天诺光电材料股份有限公司 2021-12-07 CN disclosed
CN-111662432-A Epoxy resin curing agent and preparation method and application thereof 豆海娟 2020-09-15 CN disclosed
US-20110190535-A1 PROCESS FOR PREPARING POLYAROMATIC POLYISOCYANATE COMPOSITIONS HUNTSMAN INTERNATIONAL LLC (US) 2011-08-04 US disclosed
US-7723460-B2 Shape-memory resin performing remoldability and excellent in shape recovering property, and molded product composed of the cross-linked resin NEC CORPORATION (JP) 2010-05-25 US disclosed
EP-2183295-A1 PROCESS FOR PREPARING POLYAROMATIC POLYISOCYANATE COMPOSITIONS Huntsman International LLC (US) 2010-05-12 EP disclosed
WO-2009024407-A1 PROCESS FOR PREPARING POLYAROMATIC POLYISOCYANATE COMPOSITIONS HUNTSMAN INTERNATIONAL LLC (US) 2009-02-26 WO disclosed
US-20070148465-A1 Shape-memory resin performing remoldability and excellent in shape recovering property, and molded product composed of the cross-linked resin NEC CORPORATION (JP) 2007-06-28 US disclosed
EP-0663929-B1 AQUEOUS BINDER MIXTURE AND USE OF THE MIXTURE BAYER AG (DE) 2003-09-03 EP disclosed
EP-0158953-B1 TRIAMINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS CROSS-LINKING AGENTS OR HARDENERS FOR PLASTIC MATERIALS OR PRECURSERS HAVING EPOXY OR ISOCYANATE-GROUPS BAYER AG (DE) 1988-04-13 EP disclosed
EP-0162347-B1 CYCLOALIPHATIC TRIISOCYANATES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE IN THE MANUFACTURE OF POLYURETHANES BAYER AG (DE) 1987-12-09 EP disclosed
EP-0162346-B1 TRIISOCYANATES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE IN THE MANUFACTURE OF POLYURETHANES BAYER AG (DE) 1987-06-03 EP disclosed
US-4613687-A POLYURETHANES BAYER AKTIENGESELLSCHAFT (DE) 1986-09-23 US disclosed
US-4603189-A Triisocyanates and a process for their preparation BAYER AKTIENGESELLSCHAFT (DE) 1986-07-29 US disclosed
EP-0162346-A1 Triisocyanates, process for their production, and their use in the manufacture of polyurethanes BAYER AG (DE) 1985-11-27 EP disclosed
EP-0162347-A1 Cycloaliphatic triisocyanates, process for their production, and their use in the manufacture of polyurethanes BAYER AG (DE) 1985-11-27 EP disclosed
EP-0158952-A2 Triamines, a process for their preparation and their use as cross-linking agents or hardeners for plastic materials or precursors having epoxy- or isocyanate-groups BAYER AG (DE) 1985-10-23 EP disclosed
EP-0158953-A2 Triamines, a process for their preparation and their use as cross-linking agents or hardeners for plastic materials or precursers having epoxy or isocyanate-groups BAYER AG (DE) 1985-10-23 EP disclosed
EP-0046917-A1 Polyisocyanate mixtures of the diphenylmethane class, as well as their use as synthesis components in the manufacture of polyurethanes by the isocyanate-polyaddition process BAYER AG (DE) 1982-03-10 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-20110190535-A1 PROCESS FOR PREPARING POLYAROMATIC POLYISOCYANATE COMPOSITIONS MAOA, DDC, MAOB KCNN4 2891/4885ALOX15 2449/4885CYP3A4 322/4885

“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.