SCHEMBL14416633

SCHEMBL14416633

CCC(=O)CCc1cccc(Cl)c1NC(=O)CC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IAPP P10997 2/20 0.50
MAPT P10636 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TNF P01375 1/20 0.40
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
P2RX7 Q99572 1/20 0.40
HTT P42858 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
NLRP3 Q96P20 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
SCHEMBL14416594 0.82 TSHR (0.46) MAPTNPC1RAB9ATSHRL3MBTL1
SCHEMBL7704551 0.81 MAPT (0.56) MAPTRAB9ATSHRL3MBTL1CYP3A4
SCHEMBL14416593 0.76 MAPT (0.53) MAPTNPC1RAB9ATSHRL3MBTL1
SCHEMBL14416597 0.75 TSHR (0.61) MAPTTSHRL3MBTL1CYP3A4NLRP3
SCHEMBL21681228 0.74 TSHR (0.54) MAPTNPC1RAB9ATSHRL3MBTL1
SCHEMBL10588657 0.72 ALOX15 (0.62) MAPTRAB9ATSHRKDM4EHTT
SCHEMBL4368336 0.70 KMT2A (0.50) MAPTNPC1RAB9ATSHRL3MBTL1
SCHEMBL3125907 0.69 SMN1; SMN2 (0.44) MAPTHTT
SCHEMBL18749961 0.69 TSHR (0.49) MAPTNPC1RAB9ATSHRL3MBTL1
SCHEMBL28022825 0.68 IAPP (0.47) IAPPMAPTKDM4EP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219370-A1 PROCESS FOR PREPARING N-(2-CHLORO-6-METHYLPHENYL)-2-[[6-[4-(2-HYDROXYETHYL)-1-PIPERAZINYL]-2-METHYL-4-PYRIMIDINYL]AMINO] -5-THIAZOLECARBOXAMIDE AND RELATED METABOLITES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2007-09-20 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-20070219370-A1 PROCESS FOR PREPARING N-(2-CHLORO-6-METHYLPHENYL)-2-[[6-[4-(2-HYDROXYETHYL)-1-PIPERAZINYL]-2-METHYL-4-PYRIMIDINYL]AMINO] -5-THIAZOLECARBOXAMIDE AND RELATED METABOLITES THEREOF UGT1A6, PAH, CYP2B6 IAPP 3807/4885MAPT 2630/4885NPC1 480/4885

“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.