SCHEMBL3147757

SCHEMBL3147757

ClC(Cl)(I)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
CYP1A2 P05177 2/20 0.46
MAPK1 P28482 1/20 0.43
KCNN4 O15554 4/20 0.43
ALDH1A1 P00352 3/20 0.43
TAAR1 Q96RJ0 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MGLL Q99685 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PTPN1 P18031 1/20 0.33
ESR1 P03372 1/20 0.33
CYP3A4 P08684 1/20 0.33
ESR2 Q92731 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL9073584 0.84 TSHR (0.61) TSHRCYP1A2MAPK1KCNN4ALDH1A1
SCHEMBL28371 0.77 TSHR (0.52) TSHRCYP1A2MAPK1KCNN4ALDH1A1
SCHEMBL9317807 0.77 TSHR (0.52) TSHRCYP1A2MAPK1KCNN4ALDH1A1
SCHEMBL874140 0.73 KCNN4 (0.47) TSHRCYP1A2MAPK1KCNN4ALDH1A1
SCHEMBL2261820 0.73 KCNN4 (0.47) TSHRCYP1A2MAPK1KCNN4ALDH1A1
SCHEMBL1315561 0.73 KCNN4 (0.47) TSHRCYP1A2MAPK1KCNN4ALDH1A1
SCHEMBL151981 0.73 TSHR (0.65) TSHRCYP1A2MAPK1KCNN4ALDH1A1
SCHEMBL819164 0.73 TSHR (0.65) TSHRCYP1A2MAPK1KCNN4ALDH1A1
Chlorotriphenylmethane SCHEMBL461 0.73 TSHR (0.65) TSHRCYP1A2MAPK1KCNN4ALDH1A1
SCHEMBL10940043 0.73 TSHR (0.65) TSHRCYP1A2MAPK1KCNN4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5310917-A Process for the preparation of 4-substituted-1,4-dihydropydrines MERCK & CO., INC. (US) 1994-05-10 US claimed
WO-1993006082-A1 PROCESS FOR THE PREPARATION OF 4-SUBSTITUTED-1,4-DIHYDROPYRIDINES MERCK & CO., INC. (US) 1993-04-01 WO claimed
EP-0534520-A2 Process for the preparation of 4-substituted-1,4-dihydropyridines MERCK & CO. INC. (US) 1993-03-31 EP claimed
CN-108046978-A A kind of efficient method for preparing iodate benzyl and its derivative 云南民族大学 2018-05-18 CN disclosed
EP-1224170-B9 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2017-11-22 EP disclosed
EP-2157081-A1 Indolinones substituted in six locations, their manufacture and their application as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2010-02-24 EP disclosed
EP-1224170-B1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2009-08-12 EP disclosed
US-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-7166599-B2 Trisubstituted pyrimidines BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-23 US disclosed
US-7148249-B2 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-12-12 US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 US disclosed
EP-0534520-A2 Process for the preparation of 4-substituted-1,4-dihydropyridines MERCK & CO. INC. (US) 1993-03-31 EP disclosed
US-5019587-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1991-05-28 US disclosed
US-4874756-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-10-17 US disclosed
US-4746658-A 2-phenyl-imidazo-pyrazines, -pyridazines and -triazines DR. KARL THOMAE GMBH (DE) 1988-05-24 US disclosed
US-4656171-A 2-phenyl-imidazo-pyrazines, useful as cardiotonics DR. KARL THOMAE GMBH (DE) 1987-04-07 US disclosed
US-4560402-A HERBICIDES, PLANT GROWTH REGULATORS CIBA GEIGY CORPORATION (US) 1985-12-24 US disclosed
US-4413124-A 2-Alkyl-5-alkylsulfonyl-4,6-dihalopyrimidines and the production thereof CIBA-GEIGY CORPORATION (US) 1983-11-01 US disclosed
US-4412074-A 2-Alkyl-5-alkyl sulfony 1-4,6-dihalopyrimidines and the production thereof CIBA-GEIGY CORPORATION (US) 1983-10-25 US disclosed
US-4311514-A Sulfur-containing alkanecarboxylic acid derivatives with herbicidal and plant growth-regulating action, production thereof and method of use CIBA-GEIGY CORPORATION (US) 1982-01-19 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 (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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR TSHR 503/4885CYP1A2 505/4885MAPK1 273/4885

“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.