SCHEMBL213709

SCHEMBL213709

C1=NNCc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.42
TRPA1 O75762 1/20 0.41
PNMT P11086 1/20 0.32
CD44 P16070 1/20 0.32
MAOB P27338 1/20 0.32
HTR2C P28335 1/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL29696017 1.00 PARP1 (0.42) PARP1TRPA1PNMTCD44MAOB
SCHEMBL6488209 0.98 PARP1 (0.41) PARP1TRPA1PNMTCD44MAOB
SCHEMBL7309901 0.92 PARP1 (0.37) PARP1TRPA1PNMTCD44MAOB
Formic Acid SCHEMBL28778115 0.89 PARP1 (0.35) PARP1TRPA1
SCHEMBL4969401 0.78 HTR2C (0.43) PARP1TRPA1PNMTCD44MAOB
SCHEMBL19540042 0.75 TSHR (0.39) TRPA1PNMTCD44MAOBHTR2C
SCHEMBL5072285 0.71 TRPA1 (0.44) PARP1TRPA1PNMT
SCHEMBL10152893 0.70 PARP1 (0.39) PARP1TRPA1PNMTCD44MAOB
SCHEMBL28067377 0.69 HTR2C (0.34) TRPA1PNMTCD44MAOBHTR2C
SCHEMBL4166260 0.68 PNMT (0.37) PNMTCD44MAOBHTR2CALOX15

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 1324 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197228-A Synthesis method of pyrazolone [ spiro ] dihydrophthalazine and 1,3-indenedione [ spiro ] dihydrophthalazine compounds 河南师范大学 2022-10-18 CN claimed
CN-102953097-B Electroplate liquid and electro-plating method ROHM AND HAAS ELECTRONIC MATERIALS CO., LTD. (US) 2016-01-13 CN claimed
US-8466295-B2 Thiophene derivatives as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-06-18 US claimed
EP-2602242-A1 PROCESS FOR PREPARING COMPOUND BY NOVEL SANDMEYER-LIKE REACTION USING NITROXIDE RADICAL COMPOUND AS REACTION CATALYST DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-12 EP claimed
US-20130144061-A1 PROCESS FOR PREPARING A COMPOUND BY A NOVEL SANDMEYER-LIKE REACTION USING A NITROXIDE RADICAL COMPOUND AS A REACTION CATALYST DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-06-06 US claimed
US-8410155-B2 Arylpropionamide, arylacrylamide, arylpropynamide, or arylmethylurea analogs as factor XIA inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-02 US claimed
US-8324199-B2 Pyridazine derivatives as factor xia inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-12-04 US claimed
US-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-10-25 US claimed
EP-1852420-B1 Indole compounds for treating respiratory disorders ONO PHARMACEUTICAL CO (JP) 2012-10-17 EP claimed
US-8163749-B2 Six-membered heterocycles useful as serine protease inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-24 US claimed
US-7402580-B2 Fused pyridazine derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-07-22 US claimed
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB CO. 2008-07-03 US claimed
WO-2008076805-A2 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-26 WO claimed
WO-2007070818-A1 SIX-MEMBERED HETEROCYCLES USEFUL AS SERINE PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO claimed
WO-2007070816-A2 THIOPHENE DERIVATIVES AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO claimed
WO-2007070826-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO claimed
EP-0848000-B1 Pharmaceutical pyridine derivatives, processes for preparing the same and intermediates therefor TANABE SEIYAKU CO (JP) 2002-06-12 EP claimed
WO-2000039100-A1 PHTHALAZINE DERIVATIVES, A PROCESS FOR THE PREPARATION THEREOF, AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME EGIS Gyógyszergyár Rt. (HU) 2000-07-06 WO claimed
EP-0848000-A1 Pharmaceutical pyridine derivatives, processes for preparing the same and intermediates therefor TANABE SEIYAKU CO., LTD. (JP) 1998-06-17 EP claimed
CN-1032399-A Method of immunity UNILEVER NV (NL) 1989-04-12 CN 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 (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-20120270853-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 PARP1 1574/4885TRPA1 1740/4885PNMT 1643/4885
US-20080161373-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS TFPI, F11, F12 PARP1 1574/4885TRPA1 1740/4885PNMT 1643/4885
US-20130144061-A1 PROCESS FOR PREPARING A COMPOUND BY A NOVEL SANDMEYER-LIKE REACTION USING A NITROXIDE RADICAL COMPOUND AS A REACTION CATALYST TYR, NOX5, NOXO1 PARP1 4680/4885TRPA1 575/4885PNMT 76/4885

“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.