SCHEMBL525759

SCHEMBL525759

NC(=S)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.89

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.89
EPHX2 P34913 1/20 0.59
CDK1 P06493 1/20 0.54
ALDH1A1 P00352 3/20 0.54
TP53 P04637 1/20 0.54
TYR P14679 1/20 0.54
TSHR P16473 1/20 0.54
TAS2R38 P59533 1/20 0.54
HSD17B10 Q99714 1/20 0.54
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
ALOX12 P18054 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS1 P23219 2/20 0.51
LMNA P02545 3/20 0.50
MEN1 O00255 2/20 0.50
HTT P42858 2/20 0.50
KMT2A Q03164 2/20 0.50

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
SCHEMBL5427766 0.94 KIF11 (1.00) KIF11EPHX2CDK1ALDH1A1TP53
Acrylamide SCHEMBL28438109 0.87 KIF11 (0.69) KIF11EPHX2CDK1ALDH1A1PTGS1
SCHEMBL9187022 0.83 KIF11 (0.65) KIF11EPHX2CDK1ALDH1A1TAS2R38
SCHEMBL9453957 0.83 CDK1 (0.68) KIF11EPHX2CDK1ALDH1A1LMNA
SCHEMBL11057676 0.82 KIF11 (0.63) KIF11EPHX2CDK1ALDH1A1PTGS1
SCHEMBL725810 0.82 ALDH1A1 (0.75) KIF11ALDH1A1TP53TYRTSHR
SCHEMBL457226 0.80 IDO1 (0.65) KIF11EPHX2CDK1ALDH1A1LMNA
SCHEMBL167549 0.79 KIF11 (0.89) KIF11EPHX2ALDH1A1PTGS1TGM2
SCHEMBL20560147 0.79 KIF11 (0.59) KIF11EPHX2CDK1ALDH1A1PTGS1
SCHEMBL4348957 0.79 KIF11 (0.59) KIF11EPHX2ALDH1A1TP53TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117820332-A Benzothiophene-thiourea compound and preparation method and application thereof 烟台大学 2024-04-05 CN claimed
CN-112888674-B Polycyclic compounds as soluble epoxide hydrolase inhibitors 巴塞罗那大学 2023-06-30 CN claimed
US-20210283023-A1 Dual-Curing Dental Compositions with High Stability JAMES R. GLIDEWELL DENTAL CERAMICS, INC. 2021-09-16 US claimed
US-11020324-B2 Dual-curing dental compositions with high stability JAMES R. GLIDEWELL DENTAL CERAMICS, INC. (US) 2021-06-01 US claimed
US-20200268615-A1 Dual-Curing Dental Compositions with High Stability JAMES R. GLIDEWELL DENTAL CERAMICS, INC. 2020-08-27 US claimed
CN-105536747-B A kind of intelligent response liquid chromatography stuffing and preparation method thereof 重庆大学 2018-02-02 CN claimed
CN-101687816-A Triaminopyrimidine derivatives as the CDC25 inhibitors of phosphatases IPSEN PHARMA SAS 2010-03-31 CN claimed
US-20250011315-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF PRISM MEDICINES, INC. 2025-01-09 US disclosed
US-20240390333-A1 NEUROPROTECTIVE COMPOSITIONS AND METHODS OF USING THE SAME THE BOARD OF SUPERVISORS OF LOUISIANA STATE UNIV AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2024-11-28 US disclosed
CN-107629022-B Antibacterial synergist and preparation method and application thereof 上海医药工业研究院 2024-11-12 CN disclosed
CN-118619952-A Aloperine derivative, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-09-10 CN disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 US disclosed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US disclosed
CN-1826322-A Diaryl and arylheteroaryl urea derivatives as modulators of the 5-HT 2A serotonin receptor for the prevention and treatment of related disorders ARENA PHARM INC (US) 2006-08-30 CN disclosed
US-20050256175-A1 Novel glucagon antagonists/inverse agonists LAU JESPER 2005-11-17 US disclosed
US-6881746-B2 Glucagon antagonists/inverse agonists NOVO NORDICK A/S (DK) 2005-04-19 US disclosed
EP-1519723-A1 NOVEL GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2005-04-06 EP disclosed
US-20040014789-A1 Novel glucagon antagonists/inverse agonists NOVO NORDISK A/S (DK) 2004-01-22 US disclosed
WO-2004002480-A1 NOVEL GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2004-01-08 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 (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-20040014789-A1 Novel glucagon antagonists/inverse agonists GLP1R, GCGR, GIPR KIF11 3979/4885EPHX2 3617/4885CDK1 4062/4885
US-20250011315-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF AHR, ARNT, HCAR1 KIF11 4800/4885EPHX2 341/4885CDK1 4730/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 KIF11 4800/4885EPHX2 341/4885CDK1 4730/4885
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 KIF11 1709/4885EPHX2 3017/4885CDK1 1006/4885
US-20050256175-A1 Novel glucagon antagonists/inverse agonists GLP1R, GCGR, GIPR KIF11 3979/4885EPHX2 3617/4885CDK1 4062/4885
US-20240390333-A1 NEUROPROTECTIVE COMPOSITIONS AND METHODS OF USING THE SAME GAP43, NLN, SMN1; SMN2 KIF11 1011/4885EPHX2 889/4885CDK1 3674/4885

“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.