SCHEMBL95744

SCHEMBL95744

FC(F)(F)Cc1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.61
CYP1A2 P05177 3/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 1/20 0.55
HIF1A Q16665 1/20 0.55
BTN3A1 O00481 1/20 0.53
PDE3A Q14432 1/20 0.53
CYP2D6 P10635 1/20 0.52
CHRNA7 P36544 1/20 0.50
CHRNB2 P17787 3/20 0.48
CHRNA4 P43681 3/20 0.48
CYP2A6 P11509 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
KCNA5 P22460 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL29582746 1.00 FDPS (0.61) FDPSCYP1A2CYP3A4CYP2C9CYP2C19
Acetic Acid SCHEMBL28800761 0.88 FDPS (0.58) FDPSCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL28080858 0.83 CYP1A2 (0.60) FDPSCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11559809 0.83 FDPS (0.57) FDPSCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2375127 0.83 FDPS (0.57) FDPSCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11240731 0.80 FDPS (0.59) FDPSCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL74145 0.78 CYP1A2 (0.55) FDPSCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL11231844 0.78 FDPS (0.61) FDPSCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL31358573 0.78 CYP1A2 (0.55) FDPSCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2482123 0.77 FDPS (0.64) FDPSCYP1A2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12630570-B2 Organometallic adduct compound and method of manufacturing integrated circuit device by using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2026-05-19 US disclosed
EP-4318630-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS SECONDARY BATTERY ASAHI CHEMICAL IND (JP) 2025-10-22 EP disclosed
US-12199280-B2 Non-aqueous secondary battery and non-aqueous electrolyte ASAHI KASEI KABUSHIKI KAISHA (JP) 2025-01-14 US disclosed
EP-4415105-A2 NON-AQUEOUS SECONDARY BATTERY AND NON-AQUEOUS ELECTROLYTE Asahi Kasei Kabushiki Kaisha (JP) 2024-08-14 EP disclosed
US-20240178452-A1 Nonaqueous Electrolyte Solution and Nonaqueous Secondary Battery ASAHI KASEI KABUSHIKI KAISHA (JP) 2024-05-30 US disclosed
EP-4318630-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS SECONDARY BATTERY Asahi Kasei Kabushiki Kaisha (JP) 2024-02-07 EP disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
EP-4093400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF The Trustees of Princeton University (US) 2022-11-30 EP disclosed
US-7572808-B2 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
CN-101489555-A Nf-kappa OTSUKA PHARMA CO LTD (JP) 2009-07-22 CN disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2007119600-A9 CARBAZOLE COMPOUND OTSUKA PHARMA CO LTD (JP) 2008-05-02 WO disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
CN-101068810-A Carbostyril compound OTSUKA PHARMA CO LTD (JP) 2007-11-07 CN disclosed
WO-2007119600-A1 CARBAZOLE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-10-25 WO disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
US-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists BRISTOL-MYERS SQUIBB COMPANY 2007-01-04 US disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 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 (4 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-20070004772-A1 Triazolopyridine cannabinoid receptor 1 antagonists CNR1, CNR2, TRPV1 FDPS 2249/4885CYP1A2 421/4885CYP3A4 572/4885
US-12630570-B2 Organometallic adduct compound and method of manufacturing integrated circuit device by using the same C5, AFF2, AFF4 FDPS 3413/4885CYP1A2 987/4885CYP3A4 612/4885
US-12199280-B2 Non-aqueous secondary battery and non-aqueous electrolyte CLK2, TYK2, CLK3 FDPS 4873/4885CYP1A2 2814/4885CYP3A4 3798/4885
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PAH, ALDH2, IDH2 FDPS 347/4885CYP1A2 329/4885CYP3A4 1188/4885

“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.