SCHEMBL4941018

SCHEMBL4941018

O=C(C(NCl)c1ccccc1)N1CCCC1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.49
HPGD P15428 5/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
GAA P10253 3/20 0.46
LMNA P02545 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KLRK1 P26718 1/20 0.44
MICA Q29983 1/20 0.44
RAET1L Q5VY80 1/20 0.44
CHRM3 P20309 2/20 0.43
CHRM1 P11229 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL4941013 1.00 EPHX2 (0.49) EPHX2HPGDKMT2AKDM4EMAPT
SCHEMBL16339449 0.85 KLRK1 (0.48) EPHX2HPGDKMT2AKDM4EMAPT
SCHEMBL20434045 0.85 CHRM1 (0.49) EPHX2HPGDKMT2AKDM4EMAPT
SCHEMBL20434130 0.85 CHRM1 (0.49) EPHX2HPGDKMT2AKDM4EMAPT
SCHEMBL9158572 0.83 GAA (0.50) EPHX2HPGDKMT2AKDM4EMAPT
SCHEMBL20434134 0.82 OPRK1 (0.53) EPHX2HPGDKMT2AKDM4EMAPT
SCHEMBL20434116 0.82 OPRK1 (0.53) EPHX2HPGDKMT2AKDM4EMAPT
SCHEMBL20434113 0.82 USP9X (0.47) EPHX2HPGDKMT2AKDM4EMAPT
SCHEMBL20434114 0.82 USP9X (0.47) EPHX2HPGDKMT2AKDM4EMAPT
SCHEMBL14046230 0.81 HDAC8 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 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-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors MTTP, CETP, FABP2 EPHX2 1080/4885HPGD 717/4885KMT2A 2256/4885

“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.