SCHEMBL7704551

SCHEMBL7704551

CCC(=O)Nc1c(Cl)cccc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
TSHR P16473 2/20 0.54
CYP3A4 P08684 1/20 0.53
NLRP3 Q96P20 1/20 0.53
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PDK1 Q15118 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK3 Q15120 1/20 0.49
PDK4 Q16654 1/20 0.49
POLB P06746 1/20 0.49
NR4A1 P22736 1/20 0.49
RAB9A P51151 1/20 0.49
TYK2 P29597 2/20 0.48
HPGD P15428 1/20 0.48
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 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
SCHEMBL14416597 0.89 TSHR (0.61) MAPTL3MBTL1TSHRCYP3A4NLRP3
SCHEMBL21681228 0.88 TSHR (0.54) MAPTL3MBTL1TSHRCYP3A4KDM4E
SCHEMBL14416594 0.86 TSHR (0.46) MAPTL3MBTL1TSHRCYP3A4NLRP3
SCHEMBL11878688 0.83 MAPT (0.46) MAPTL3MBTL1CYP3A4NLRP3ALDH1A1
SCHEMBL11367094 0.83 ALDH1A1 (0.60) MAPTCYP3A4ALDH1A1POLBRAB9A
SCHEMBL4368336 0.82 KMT2A (0.50) MAPTL3MBTL1TSHRCYP3A4KDM4E
SCHEMBL7291906 0.82 ALDH1A1 (0.61) MAPTL3MBTL1NLRP3KDM4EALDH1A1
SCHEMBL14416633 0.81 IAPP (0.50) MAPTL3MBTL1TSHRCYP3A4NLRP3
SCHEMBL5803985 0.80 MAPT (0.53) MAPTL3MBTL1ALDH1A1TYK2
SCHEMBL5803983 0.80 MAPT (0.49) MAPTL3MBTL1NLRP3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638014-B1 N-SULFONYLATED TETRAHYDROQUINOLINES AND RELATED BICYCLIC COMPOUNDS FOR INHIBITION OF ROR-GAMMA ACTIVITY AND THE TREATMENT OF DISEASES LYCERA CORP (US) 2017-01-04 EP disclosed
EP-2036548-A1 Prevention and treatment of inflammation-induced and/or immune-mediated bone loss onepharm Research & Development GmbH (AT) 2009-03-18 EP disclosed
US-20080207718-A1 Use of Fused Imidazole Derivatives to Mediate Ccr3 Related Conditions BECKWITH ROHAN 2008-08-28 US disclosed
US-20080207718-A1 Use of Fused Imidazole Derivatives to Mediate Ccr3 Related Conditions BECKWITH ROHAN 2008-08-28 US disclosed
US-20080070924-A1 Novel Formulations For Opioid-Based Treatments Of Pain Comprising 1-(1,2-Disubstituted Piperidinyl)-4-Substituted Piperazine Derivatives JANSSENS FRANS EDUARD 2008-03-20 US disclosed
US-20080070924-A1 Novel Formulations For Opioid-Based Treatments Of Pain Comprising 1-(1,2-Disubstituted Piperidinyl)-4-Substituted Piperazine Derivatives JANSSENS FRANS EDUARD 2008-03-20 US disclosed
WO-2007025751-A1 USE OF FUSED IMIDAZOLE DERIVATIVES TO MEDIATE CCR3 RELATED CONDITIONS NOVARTIS AG (CH) 2007-03-08 WO disclosed
US-20020010340-A1 Process for preparation of 2-aminothiazolecarboxamide derivatives LG CHEMICAL LTD. 2002-01-24 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 (3 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-20020010340-A1 Process for preparation of 2-aminothiazolecarboxamide derivatives CBR1, CBR3, CYP1B1 MAPT 3731/4885L3MBTL1 4314/4885TSHR 1835/4885
US-20080207718-A1 Use of Fused Imidazole Derivatives to Mediate Ccr3 Related Conditions CCR3, CCR1, CCR4 MAPT 3034/4885L3MBTL1 3206/4885TSHR 3829/4885
US-20080070924-A1 Novel Formulations For Opioid-Based Treatments Of Pain Comprising 1-(1,2-Disubstituted Piperidinyl)-4-Substituted Piperazine Derivatives OPRL1, OPRK1, OPRM1 MAPT 4215/4885L3MBTL1 3486/4885TSHR 1605/4885

“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.