Sugi Predict

Sugi Predict / Compounds / SCHEMBL420514

SCHEMBL420514

SCHEMBL420514

Cc1cc(F)ccc1N=C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.48
▸ TRPA1 O75762 1/20 0.48
▸ TDP1 Q9NUW8 3/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MMP14 P50281 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.31
▸ ACHE P22303 2/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ GABRA1 P14867 1/20 0.31

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
SCHEMBL1022418 0.84 CYP3A4 (0.63) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL893836 0.80 ALDH1A1 (0.36) CYP3A4TDP1ALDH1A1HPGDMAPK1
SCHEMBL29500358 0.79 CYP3A4 (0.58) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL31115174 0.79 CYP3A4 (0.52) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL29533142 0.79 ALDH1A1 (0.40) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL29351907 0.79 CYP3A4 (0.58) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL76596 0.79 ALDH1A1 (0.40) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL48414 0.79 CYP3A4 (0.58) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL31115173 0.79 CYP3A4 (0.52) CYP3A4TRPA1TDP1ALDH1A1HPGD
SCHEMBL627870 0.79 CYP3A4 (0.52) CYP3A4TRPA1TDP1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961238-B2 Modulators of hedgehog (Hh) signaling pathway E-THERAPEUTICS PLC (GB) 2021-03-30 — — US disclosed
EP-2841433-B1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL CO (JP) 2017-06-21 — — EP disclosed
US-9579319-B2 Heterocyclic compounds as hedgehog signaling pathway inhibitors REDX PHARMA PLC (GB) 2017-02-28 — — US disclosed
US-9380782-B2 Tetrazolinone compounds and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-05 — — US disclosed
US-20160113928-A1 HETEROCYCLIC COMPOUNDS AS HEDGEHOG SIGNALING PATHWAY INHIBITORS REDX PHARMA PLC (GB) 2016-04-28 — — US disclosed
US-9249145-B2 Heterocyclic derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-02-02 — — US disclosed
US-9249145-B2 Heterocyclic derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-02-02 — — US disclosed
US-9249145-B2 Heterocyclic derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-02-02 — — US disclosed
EP-2841433-A1 TETRAZOLINONE COMPOUNDS AND ITS USE Sumitomo Chemical Company Limited (JP) 2015-03-04 — — EP disclosed
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-01-29 — — US disclosed
CN-1826324-A Indazole, benzisoxazole and benzisothiazole kinase inhibitors ABBOTT LAB (US) 2006-08-30 — — CN disclosed
EP-1638941-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2006-03-29 — — EP disclosed
US-20050239841-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 — — US disclosed
WO-2005051381-A1 Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) BIOVITRUM AB (SE) 2005-06-09 — — WO disclosed
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABBVIE INC. 2005-01-27 — — US disclosed
EP-1499603-A1 ANTIVIRAL LACTONE-UREAS Bayer Aktiengesellschaft (DE) 2005-01-26 — — EP disclosed
WO-2004113304-A1 INDAZOLE, BENZISOXAZOLE, AND BENZISOTHIAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-12-29 — — WO disclosed
WO-2004052363-A1 OXAZOLIDINONES USED AS ANTIVIRAL AGENTS, IN PARTICULAR FOR FIGHTING AGAINST CYTOMEGALOVIRUS BAYER HEALTHCARE AG (DE) 2004-06-24 — — WO disclosed
WO-2003089421-A1 ANTIVIRAL LACTONE-UREAS BAYER HEALTHCARE AG (DE) 2003-10-30 — — WO disclosed
WO-2000003596-A1 UTILIZATION OF SUBSTITUTED O-ALKYL-CARBAMATES FOR COMBATING ANIMAL PESTS BAYER AKTIENGESELLSCHAFT (DE) 2000-01-27 — — 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 (5 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-10961238-B2 Modulators of hedgehog (Hh) signaling pathway SHH, GLI1, SMO CYP3A4 4568/4885TRPA1 4536/4885TDP1 4832/4885
US-20050020603-A1 Indazole, benzisoxazole, and benzisothiazole kinase inhibitors ABL1, BLK, BTK CYP3A4 793/4885TRPA1 2124/4885TDP1 2697/4885
US-20160113928-A1 HETEROCYCLIC COMPOUNDS AS HEDGEHOG SIGNALING PATHWAY INHIBITORS SMO, SHH, GLI1 CYP3A4 3223/4885TRPA1 585/4885TDP1 4728/4885
US-20150031733-A1 TETRAZOLINONE COMPOUNDS AND ITS USE CBR3, CYP51A1, CYP8B1 CYP3A4 35/4885TRPA1 93/4885TDP1 3755/4885
US-20050239841-A1 New compounds MCHR1, NPY1R, HCRTR1 CYP3A4 1263/4885TRPA1 467/4885TDP1 3040/4885

“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.