SCHEMBL320237

SCHEMBL320237

[c]1ccnc(-c2cccnc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 11/20 0.58
CYP3A4 P08684 4/20 0.52
ALDH1A1 P00352 3/20 0.52
CYP1A2 P05177 2/20 0.52
LOXL2 Q9Y4K0 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
PTK2 Q05397 1/20 0.47
CYP2E1 P05181 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2B6 P20813 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP19A1 P11511 2/20 0.46
METAP2 P50579 1/20 0.46
SIRT3 Q9NTG7 1/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45

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
SCHEMBL6231169 0.80 CYP2A6 (0.45) CYP2A6CYP3A4ALDH1A1CYP1A2HSP90AA1
SCHEMBL231750 0.79 ASIC3 (0.45) CYP2A6CYP3A4ALDH1A1CYP1A2HSP90AA1
SCHEMBL606773 0.78 LMNA (0.42) CYP3A4ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL3608908 0.77 CYP2A6 (0.32) CYP2A6
SCHEMBL296179 0.76 CYP2A6 (0.62) CYP2A6CYP3A4ALDH1A1CYP1A2CYP2E1
SCHEMBL1278034 0.76 CYP2A6 (0.56) CYP2A6CYP3A4ALDH1A1CYP1A2LOXL2
SCHEMBL9813674 0.76 CYP2A6 (0.32) CYP2A6
SCHEMBL4672073 0.75 CYP2A6 (0.67) CYP2A6CYP3A4ALDH1A1CYP1A2LOXL2
SCHEMBL31140239 0.75 CYP2A6 (0.67) CYP2A6CYP3A4ALDH1A1CYP1A2LOXL2
SCHEMBL8597147 0.74 CYP2A6 (0.50) CYP2A6CYP3A4ALDH1A1CYP1A2LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2240465-B1 NOVEL PHENOL COMPOUNDS AND (CO)POLYMERS THEREOF SIKKEMA DOETZE JAKOB (NL) 2015-10-14 EP claimed
EP-2411376-B1 INHIBITORS OF NF-KB PROFECTUS BIOSCIENCES INC (US) 2015-04-22 EP claimed
US-20130172390-A1 Haloalkyl-Substituted Amides as Insecticides and Acaricides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-07-04 US claimed
US-20130039870-A1 Cosmetic Or Dermatological Preparations With A Content Of One Or More Thiazole Derivates BEIERSDORF AG (DE) 2013-02-14 US claimed
CN-102741222-A Haloalkyl-substituted amides as insecticides and acaricides BAYER CROPSCIENCE AG 2012-10-17 CN claimed
EP-2493844-A2 HALOGENALKYL-SUBSTITUTED AMIDES USED AS INSECTICIDES AND ACARICIDES Bayer CropScience AG (DE) 2012-09-05 EP claimed
US-20120015952-A1 Inhibitors of NF-KB PROFECTUS BIOSCIENCES, INC. (US) 2012-01-19 US claimed
US-7943646-B2 Benzamidine derivative, process for the preparation thereof and pharmaceutical composition comprising same DONG WHA PHARMACEUTICAL CO., LTD. (KR) 2011-05-17 US claimed
WO-2011054436-A2 HALOGENALKYL-SUBSTITUTED AMIDES USED AS INSECTICIDES AND ACARICIDES BAYER CROPSCIENCE AG (DE) 2011-05-12 WO claimed
US-20110105532-A1 Haloalkyl-substituted amides as insecticides and acaricides BAYER CROPSCIENCE AG (DE) 2011-05-05 US claimed
EP-1786790-B1 OXAZOLE DERIVATIVES AS HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2009-06-03 EP claimed
EP-0944645-B1 INHIBITORS OF INTERLEUKIN-1beta CONVERTING ENZYME VERTEX PHARMA (US) 2005-03-09 EP claimed
US-20020013346-A1 C7 ester substituted taxanes FSU RESEARCH FOUNDATION, INC. 2002-01-31 US claimed
US-20240251665-A1 TRANSVERSE CURRENT SUPPRESSING MATERIAL, CARBAZOLE COMPOUND, HOLE-INJECTION LAYER AND ORGANIC ELECTROLUMINESCENT ELEMENT TOSOH CORPORATION (JP) 2024-07-25 US disclosed
US-20240122065-A1 METAL PATTERNING MATERIAL, AMINE COMPOUND, ELECTRONIC DEVICE, AND METHOD FOR FORMING METAL PATTERN TOSOH CORPORATION (JP) 2024-04-11 US disclosed
EP-4342883-A1 PHOTOELECTRIC CONVERSION ELEMENT MATERIAL FOR IMAGING ELEMENT AND PHOTOELECTRIC CONVERSION ELEMENT FOR IMAGING ELEMENT Tosoh Corporation (JP) 2024-03-27 EP disclosed
US-6077952-A Cephaloporins and homologues PFIZER INC. (US) 2000-06-20 US disclosed
US-6063956-A APPLYING FUNGICIDE OR INSECTICIDE TO THE LOCUS WHERE CONTROL IS DESIRED ROHM AND HAAS COMPANY (US) 2000-05-16 US disclosed
WO-1999028305-A1 FUNGICIDAL CYCLIC AMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-06-10 WO disclosed
CN-1130378-A Pyridazinone derivatives or their salts, processes of their production, and anti-shock agents containing them ISHIHARA SANGYO KAISHA (JP) 1996-09-04 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 (6 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-20130039870-A1 Cosmetic Or Dermatological Preparations With A Content Of One Or More Thiazole Derivates TYR, CUTA, MITF CYP2A6 942/4885CYP3A4 1481/4885ALDH1A1 95/4885
US-20120015952-A1 Inhibitors of NF-KB NFKBIA, IKBKB, IKBKG CYP2A6 3568/4885CYP3A4 3206/4885ALDH1A1 2365/4885
US-20130172390-A1 Haloalkyl-Substituted Amides as Insecticides and Acaricides CRYAA, ACLY, CRYZ CYP2A6 106/4885CYP3A4 943/4885ALDH1A1 769/4885
US-20240251665-A1 TRANSVERSE CURRENT SUPPRESSING MATERIAL, CARBAZOLE COMPOUND, HOLE-INJECTION LAYER AND ORGANIC ELECTROLUMINESCENT ELEMENT AXIN2, FZD7, SLC39A3 CYP2A6 2185/4885CYP3A4 404/4885ALDH1A1 3265/4885
US-20110105532-A1 Haloalkyl-substituted amides as insecticides and acaricides CRYAA, ACLY, CRYZ CYP2A6 106/4885CYP3A4 943/4885ALDH1A1 769/4885
US-20020013346-A1 C7 ester substituted taxanes CCR7, CASP7, UGT2B7 CYP2A6 633/4885CYP3A4 873/4885ALDH1A1 1147/4885

“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.