SCHEMBL3888992

SCHEMBL3888992

N#Cc1c[c]c(NC(N)=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
NLRP3 Q96P20 1/20 0.37
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
CA1 P00915 4/20 0.36
CA2 P00918 4/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL9463562 0.74 MAPT (0.38) MAPTLMNACA1CA2CA12
SCHEMBL2993188 0.73 PEPD (0.35) MAPTLMNACA1CA2CA12
SCHEMBL2995603 0.73 PEPD (0.35) MAPTLMNACA1CA2CA12
SCHEMBL3884988 0.73 ALDH1A1 (0.52) MAPTMEN1KMT2AIDO1ALDH1A1
SCHEMBL2994051 0.73 NPC1 (0.52) MAPTLMNATSHRHTTCA1
SCHEMBL2035948 0.72 MAPT (0.59) MAPTLMNATSHRHTTNLRP3
SCHEMBL3888402 0.72 LOXL2 (0.41) LMNATSHRCA2CA12CA9
SCHEMBL2991244 0.69 KIF11 (0.51) KMT2ARAB9A
SCHEMBL5674180 0.68 CYP2A6 (0.34) LMNAHTTCA2CA12CA9
SCHEMBL3888774 0.68 CYP2A6 (0.39) LMNATSHRCA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572813-B2 Cyclic amide derivative as monocyte chemotactic protein modulator; prevention and treatment of rheumatoid arthritis, multiple sclerosis, atherosclerosis and asthma; antiinflammatory agents; N-[2-[[(cis) -2-[[1- (4-Chlorophenyl)ethyl]amino]cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-20060135502-A1 Cyclic derivatives as modulators of chemokine receptor activity CHERNEY ROBERT 2006-06-22 US disclosed
US-7045521-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-05-16 US disclosed
US-6706712-B2 RHEUMATIC DISEASES, MULTIPLE SCLEROSIS, ASTHMA, ANTICHOLESTEROL AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-16 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-20060135502-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 MAPT 4557/4885LMNA 4353/4885TSHR 881/4885

“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.