SCHEMBL383262

SCHEMBL383262

Fc1cccc(F)c1N=C=S

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
MIF P14174 3/20 0.42
ABCB11 O95342 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NR3C1 P04150 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ADRA2C P18825 1/20 0.39
MAOA P21397 1/20 0.39
DRD1 P21728 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR2B P41595 1/20 0.39
CCR2 P41597 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL29812934 0.85 GABRA1 (0.46) GABRA1GABRB2MIFABCB11ALDH1A1
SCHEMBL27646743 0.85 GABRA1 (0.41) GABRA1GABRB2MIFABCB11ALDH1A1
SCHEMBL158972 0.85 GABRA1 (0.46) GABRA1GABRB2MIFABCB11ALDH1A1
SCHEMBL15589311 0.85 GABRA1 (0.46) GABRA1GABRB2MIFABCB11ALDH1A1
SCHEMBL2304718 0.82 GABRA1 (0.39) GABRA1GABRB2MIFABCB11ALDH1A1
SCHEMBL18247253 0.80 GABRA1 (0.42) GABRA1GABRB2MIFALDH1A1CYP3A4
SCHEMBL9535737 0.80 MIF (0.41) GABRA1GABRB2MIFABCB11ALDH1A1
SCHEMBL22395496 0.80 GABRA1 (0.38) GABRA1GABRB2MIFABCB11ALDH1A1
SCHEMBL10326019 0.78 GABRA1 (0.38) GABRA1GABRB2MIFP2RY6
SCHEMBL23629039 0.78 TDP1 (0.41) GABRA1GABRB2ALDH1A1HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250084759-A1 FLUORESCENT DYE OIL TRACER COMPOSITIONS SAUDI ARABIAN OIL COMPANY (SA) 2025-03-13 US claimed
US-20230399942-A1 FLUORESCENT DYE OIL TRACER COMPOSITIONS SAUDI ARABIAN OIL COMPANY (SA) 2023-12-14 US claimed
CN-115411362-A Electrolyte for lithium ion battery, lithium ion battery and preparation method thereof 江苏海四达电源有限公司 2022-11-29 CN claimed
CN-105951550-A Construction method for cement concrete subgrade 四川理工学院 2016-09-21 CN claimed
US-20160250175-A1 COMBINED APPLICATION OF ISOTHIOCYANATE COMPOUND AND ANTI-CANCER MEDICINE JC (WUXI) COMPANY, INC. (CN) 2016-09-01 US claimed
EP-3034076-A1 COMBINED APPLICATION OF ISOTHIOCYANATE COMPOUND AND ANTI-CANCER MEDICINE JC (Wuxi) COMPANY, Inc. (CN) 2016-06-22 EP claimed
CN-105267967-A Combined application of isothiocyanate-type compound and anti-cancer drug acting or affecting DNA WUXI JC PHARMACAUTICAL TECHNOLOGY INC 2016-01-27 CN claimed
CN-104415332-A Combined application between isothiocyanate-type compound and kinase inhibitor medicine in treatment of cancer WUXI JC PHARMACAUTICAL TECHNOLOGY INC 2015-03-18 CN claimed
CN-104117064-A Combined application of isothiocyanate compound and hormone medicine WUXI JC PHARMACAUTICAL TECHNOLOGY INC 2014-10-29 CN claimed
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
US-12297386-B2 Aromatic isothiocyanates MERCK PATENT GMBH (DE) 2025-05-13 US disclosed
EP-4237507-B1 AROMATIC ISOTHIOCYANATES MERCK PATENT GMBH (DE) 2025-04-30 EP disclosed
US-20250084759-A1 FLUORESCENT DYE OIL TRACER COMPOSITIONS SAUDI ARABIAN OIL COMPANY (SA) 2025-03-13 US disclosed
CN-119431229-A Condensing agent and application thereof in preparing isothiocyanate 华为技术有限公司 2025-02-14 CN disclosed
EP-0048363-A2 Imidazole derivatives, processes and intermediates for their preparation and drugs containing them F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1982-03-31 EP disclosed
US-4169154-A Method of treating depression with thiourea derivatives HOFFMANN-LA ROCHE INC. (US) 1979-09-25 US disclosed
US-4150138-A Method of reducing blood pressure with thiourea derivatives and guanidine derivatives HOFFMANN-LA ROCHE INC. (US) 1979-04-17 US disclosed
US-4113776-A HYPOTENSIVE AGENTS HOFFMANN-LA ROCHE INC. (US) 1978-09-12 US disclosed
US-4096276-A Thiourea derivatives for treating hypertension HOFFMANN-LA ROCHE INC. (US) 1978-06-20 US disclosed
US-4066695-A ANTIHYPERTENSIVE AGENTS HOFFMANN-LA ROCHE INC. (US) 1978-01-03 US 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 (2 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-20160250175-A1 COMBINED APPLICATION OF ISOTHIOCYANATE COMPOUND AND ANTI-CANCER MEDICINE CHUK, KIT, MKI67 GABRA1 3626/4885GABRB2 3271/4885MIF 986/4885
US-12297386-B2 Aromatic isothiocyanates TRPA1, FOXM1, MAFG GABRA1 3372/4885GABRB2 3469/4885MIF 209/4885

“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.