SCHEMBL196969

SCHEMBL196969

Clc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.67
SIGMAR1 Q99720 1/20 0.58
TSHR P16473 1/20 0.53
MEN1 O00255 1/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.52
ALOX15 P16050 1/20 0.52
KMT2A Q03164 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CYP1A2 P05177 1/20 0.50
LTA4H P09960 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.48
MAPT P10636 2/20 0.48
IDH1 O75874 1/20 0.48
IDO1 P14902 1/20 0.48
HTT P42858 2/20 0.47
NR1H2 P55055 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47

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
Hydrochloric Acid SCHEMBL7953567 0.97 CALM1 (0.63) CALM1SIGMAR1TSHRMEN1CYP3A4
Bromide SCHEMBL7949095 0.97 CALM1 (0.63) CALM1SIGMAR1TSHRMEN1CYP3A4
Ammonia Solution, Strong SCHEMBL18010564 0.97 CALM1 (0.63) CALM1SIGMAR1TSHRMEN1CYP3A4
Methylamine SCHEMBL27607291 0.91 CALM1 (0.55) CALM1SIGMAR1TSHRMEN1CYP3A4
SCHEMBL1106684 0.88 IDO1 (0.58) CALM1TSHRMEN1CYP3A4KMT2A
SCHEMBL8752833 0.87 CYP1A2 (0.71) CALM1SIGMAR1TSHRCYP1A2L3MBTL1
SCHEMBL8094422 0.85 CALM1 (0.92) CALM1TSHRCYP3A4LTA4HIDH1
SCHEMBL972712 0.85 CALM1 (0.92) CALM1TSHRCYP3A4LTA4HIDH1
SCHEMBL8196751 0.83 SIGMAR1 (0.58) SIGMAR1TSHRMEN1HPGDALOX15
SCHEMBL585374 0.83 L3MBTL1 (0.59) CYP3A4CYP1A2L3MBTL1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118198570-B High-magnification regenerated graphite anode material and preparation method and application thereof 深圳鑫茂新能源技术股份有限公司 2024-07-16 CN claimed
CN-118198570-A High-magnification regenerated graphite anode material and preparation method and application thereof 深圳鑫茂新能源技术股份有限公司 2024-06-14 CN claimed
CN-117658567-A Early-strength and quick-hardening conductive concrete and preparation method thereof 深圳市政集团有限公司 2024-03-08 CN claimed
CN-113443950-B Method for reducing carbonyl into methylene under illumination 中山大学 2023-11-03 CN claimed
US-10556914-B2 Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use ABBVIE INC. (US) 2020-02-11 US claimed
CN-106565517-B A method of amide is prepared by arylmethane derivative and nitrile 湖南大学 2018-08-17 CN claimed
EP-3350187-A1 SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE AbbVie Inc. (US) 2018-07-25 EP claimed
CN-104140379-B Fluorine-containing extractant and application thereof 中国科学院上海有机化学研究所 2017-05-10 CN claimed
CN-106565517-A Method for preparing amide from aryl methane derivative and nitrile 湖南大学 2017-04-19 CN claimed
WO-2017046117-A1 SUBSTITUTED ISOXAZOLOPYRIDAZINONES AND ISOTHIAZOLOPYRIDAZINONES AND METHODS OF USE ABBVIE INC. (US) 2017-03-23 WO claimed
US-5147876-A Nervous system disorders MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-09-15 US claimed
US-5126340-A Antidepressants AMERICAN CYANAMID COMPANY (US) 1992-06-30 US claimed
EP-0421823-A2 Novel tetracyclic compounds having anti-allergic and anti-asthmatic activities, their preparation and use Sankyo Company Limited (JP) 1991-04-10 EP claimed
EP-0415030-A2 1-Substituted-1,2-dihydro-4-[(substituted)-phenyl]imidazo-[1,5-A]pyrimidine-8-carbonitriles AMERICAN CYANAMID COMPANY (US) 1991-03-06 EP claimed
US-4963552-A HYPOTENSIVE AGENTS, ANTIDEPRESSANTS AMERICAN CYANAMID COMPANY (US) 1990-10-16 US claimed
EP-0379806-A2 Pyrimidines and their pharmaceutical acceptable salts, and their use as medicines MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-08-01 EP claimed
US-4927829-A Heterocyclic compounds and antiulcer agents SHIONOGI & CO., LTD. (JP) 1990-05-22 US claimed
EP-0264773-A1 4,5-dihydro and 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1988-04-27 EP claimed
EP-0001644-A1 N-substituted mercaptoacetamidines and pharmaceutical composition containing the same MERCK & CO. INC. (US) 1979-05-02 EP claimed
US-4144271-A IMMUNOREGULANTS MERCK & CO., INC. (US) 1979-03-13 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-10556914-B2 Substituted isoxazolopyridazinones and isothiazolopyridazinones and methods of use GABRB1, GABBR1, GABBR2 CALM1 613/4885SIGMAR1 316/4885TSHR 318/4885

“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.