SCHEMBL894400

SCHEMBL894400

S=C=Nc1c(Cl)cccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.54
GABRB2 P47870 2/20 0.54
MIF P14174 1/20 0.42
CYP1A2 P05177 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
ABCB11 O95342 1/20 0.39
NR3C1 P04150 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

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
SCHEMBL17289579 0.87 ALDH1A1 (0.47) GABRA1GABRB2MIFCYP1A2ALDH1A1
SCHEMBL29812934 0.85 GABRA1 (0.46) GABRA1GABRB2MIFCYP1A2ALDH1A1
SCHEMBL158972 0.85 GABRA1 (0.46) GABRA1GABRB2MIFCYP1A2ALDH1A1
SCHEMBL1457069 0.85 GABRA1 (0.50) GABRA1GABRB2MIFCYP1A2ALDH1A1
SCHEMBL27596552 0.80 GABRA1 (0.55) GABRA1GABRB2MIFCYP1A2CYP3A4
SCHEMBL2305327 0.80 GABRA1 (0.42) GABRA1GABRB2MIFCYP1A2ALDH1A1
SCHEMBL8734575 0.79 CYP1A2 (0.41) GABRA1GABRB2CYP1A2ALDH1A1TDP1
SCHEMBL1457304 0.75 ALDH1A1 (0.39) GABRA1GABRB2MIFALDH1A1CYP3A4
SCHEMBL7644191 0.75 CYP1A2 (0.38) GABRA1GABRB2CYP1A2ALDH1A1TDP1
SCHEMBL22081583 0.75 CYP1A2 (0.38) GABRA1GABRB2CYP1A2ALDH1A1TDP1

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 222 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-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-103992265-B Two three bromo 1,3-bis-pyridine alkali propane and preparation method thereof, using method, recovery method and application XI'AN JIAOTONG UNIVERSITY (CN) 2016-02-24 CN claimed
CN-103992265-A Double tribromo 1,3-bipyridine onium salt dimethylmethane, and preparation method, application method, recovery method and application thereof UNIV XI AN JIAOTONG 2014-08-20 CN claimed
US-20250084759-A1 FLUORESCENT DYE OIL TRACER COMPOSITIONS SAUDI ARABIAN OIL COMPANY (SA) 2025-03-13 US disclosed
EP-3446689-B1 ISOTHIOCYANATE COMPOUND FOR USE IN THE TREATMENT OF HYPERBILIRUBINEMIA JC WUXI COMPANY INC (CN) 2025-01-08 EP disclosed
US-12188350-B2 Fluorescent dye oil tracer compositions SAUDI ARABIAN OIL COMPANY (SA) 2025-01-07 US disclosed
EP-3541802-B1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2025-01-01 EP disclosed
US-12071413-B2 Azole derivatives as apelin receptor agonist Sanford Burnham Prebys Medical Discovery Institute (US) 2024-08-27 US disclosed
CN-117843611-A Preparation and application of triazole antitumor inhibitor 中国医学科学院药物研究所 2024-04-09 CN disclosed
US-20230399942-A1 FLUORESCENT DYE OIL TRACER COMPOSITIONS SAUDI ARABIAN OIL COMPANY (SA) 2023-12-14 US disclosed
US-4244957-A HYPOTENSIVE AGENTS HOFFMAN-LA ROCHE INC. (US) 1981-01-13 US disclosed
US-4169154-A Method of treating depression with thiourea derivatives HOFFMANN-LA ROCHE INC. (US) 1979-09-25 US disclosed
EP-0002010-A1 Derivatives of 2-imino-imidazolidine, processes for their preparation, pharmaceutical compositions containing them and intermediates F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-05-30 EP 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-4089887-A Process for the production of isothiocyanates DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DT) 1978-05-16 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-12071413-B2 Azole derivatives as apelin receptor agonist APLNR, AGTR1, AGTR2 GABRA1 2302/4885GABRB2 2704/4885MIF 3826/4885

“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.