SCHEMBL11114443

SCHEMBL11114443

CNC=Nc1ccc(Cl)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
CYP4Z1 Q86W10 1/20 0.39
CYP4F11 Q9HBI6 1/20 0.39
CYP4F12 Q9HCS2 1/20 0.39
MAPK1 P28482 1/20 0.37
ADRA2A P08913 1/20 0.37

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
SCHEMBL11153211 1.00 ALDH1A1 (0.43) ALDH1A1HPGDTSHRHSD17B10KDM4E
SCHEMBL11114442 1.00 ALDH1A1 (0.43) ALDH1A1HPGDTSHRHSD17B10KDM4E
Hydrochloric Acid SCHEMBL11536177 0.98 ALDH1A1 (0.42) ALDH1A1HPGDTSHRHSD17B10KDM4E
Hydrochloric Acid SCHEMBL11536173 0.98 ALDH1A1 (0.42) ALDH1A1HPGDTSHRHSD17B10KDM4E
SCHEMBL11142842 0.85 ALDH1A1 (0.44) ALDH1A1TSHRKDM4EMAPTCYP3A4
SCHEMBL11420876 0.84 CYP2C9 (0.58) ALDH1A1HPGDTSHRHSD17B10KDM4E
SCHEMBL11144559 0.83 LMNA (0.43) ALDH1A1HPGDTSHRHSD17B10KDM4E
SCHEMBL11144562 0.83 LMNA (0.43) ALDH1A1HPGDTSHRHSD17B10KDM4E
SCHEMBL11454683 0.81 CYP3A4 (0.56) ALDH1A1HPGDTSHRHSD17B10KDM4E
SCHEMBL6067530 0.81 CYP3A4 (0.56) ALDH1A1HPGDTSHRHSD17B10KDM4E

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9173728-B2 Multi-cavity container having offset indentures for dispensing fluids MERIAL INC. (US) 2015-11-03 US disclosed
US-8921408-B2 Compositions comprising an aryl pyrazole and/or a formamidine, methods and uses thereof MERIAL LIMITED (US) 2014-12-30 US disclosed
US-20140228785-A1 COMPOSITIONS COMPRISING AN ARYL PYRAZOLE AND/OR A FORMAMIDINE, METHODS AND USES THEREOF MERIAL LIMITED (US) 2014-08-14 US disclosed
US-20130256170-A1 COMPOSITIONS COMPRISING AN ARYL PYRAZOLE AND/OR A FORMAMIDINE, METHODS AND USES THEREOF MERIAL LIMITED (US) 2013-10-03 US disclosed
US-8450357-B2 Compositions comprising an aryl pyrazole and/or a formamidine, methods and uses thereof MERIAL LIMITED (US) 2013-05-28 US disclosed
US-4425361-A INSECTICIDES, MITICIDES CIBA-GEIGY CORPORATION (US) 1984-01-10 US disclosed
EP-0022088-B1 SALTS OF SULPHONIC ACID GROUPS CONTAINING POLYMERS AND THEIR USE AS PESTICIDES CIBA-GEIGY AG (CH) 1983-11-23 EP disclosed
US-4413013-A N-(((ARYLFORMAMIDOYL)METHYLAMINO)THIO)-N-SUBSTITUTED SULFONAMIDES THE UPJOHN COMPANY (US) 1983-11-01 US disclosed
US-4246283-A Pesticidally active 1-phenyl-1,3,5-triaza-4-sulfa-5-alkylsulfonyl and -phenylsulfonyl-pent-1-en derivatives CIBA-GEIGY CORPORATION (US) 1981-01-20 US disclosed
US-4223027-A INSECTICIDES, MITICIDES CIBA-GEIGY CORPORATION (US) 1980-09-16 US disclosed
US-4136106-A 1,3,5-TRIAZAPENTA-1,4-DIENE SULFONATE ESTERS CIBA-GEIGY CORPORATION (US) 1979-01-23 US disclosed
US-4134913-A MITICIDES THE UPJOHN COMPANY (US) 1979-01-16 US disclosed
US-4115561-A N-phenyl-N'methyl-N\"-(O,S-dialkylphosphonyl)-1,3,5-triazapenta-1,4-dienes as pesticides CIBA-GEIGY CORPORATION (US) 1978-09-19 US disclosed
US-4115583-A INSECTICIDE, MITICIDE CIBA-GEIGY CORPORATION (US) 1978-09-19 US disclosed
US-4098902-A INSECTICIDES AND MITICIDES CIBA-GEIGY CORPORATION (US) 1978-07-04 US disclosed
US-4066765-A Arthropodicidal formamidines THE UPJOHN COMPANY (US) 1978-01-03 US disclosed
US-3998969-A Formamidine insecticides THE UPJOHN COMPANY (US) 1976-12-21 US disclosed
US-3954997-A MITICIDES, INSECTICIDES THE UPJOHN COMPANY (US) 1976-05-04 US disclosed
US-3947591-A Pesticidal N,N\"-thio and dithio bis(substituted phenyl formamidines) THE UPJOHN COMPANY (US) 1976-03-30 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-20130256170-A1 COMPOSITIONS COMPRISING AN ARYL PYRAZOLE AND/OR A FORMAMIDINE, METHODS AND USES THEREOF TYR, CAT, NAT1 ALDH1A1 766/4885HPGD 2433/4885TSHR 4034/4885

“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.