SCHEMBL19574680

SCHEMBL19574680

CCc1ccccc1ON1CCC(NC(=O)CNCc2cc(C(=O)O)ccn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ KDM5B Q9UGL1 8/20 0.43
▸ KDM5C P41229 4/20 0.43
▸ KDM4A O75164 4/20 0.43
▸ KDM5A P29375 3/20 0.43
▸ KDM6B O15054 1/20 0.43
▸ KDM2B Q8NHM5 1/20 0.43
▸ SIGMAR1 Q99720 2/20 0.41
▸ SSTR1 P30872 1/20 0.40
▸ SSTR4 P31391 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ PROKR1 Q8TCW9 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4C Q9H3R0 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KDM4B O94953 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
SCHEMBL20779104 0.90 SIGMAR1 (0.43) KDM5BKDM5CKDM4AKDM5AKDM6B
SCHEMBL15635975 0.83 SIGMAR1 (0.58) SIGMAR1USP2POLBGAA
SCHEMBL15636850 0.76 DRD4 (0.55) KDM5BKDM5CKDM4AKDM5AKDM6B
SCHEMBL15636721 0.75 SIGMAR1 (0.52) KDM5BKDM5CKDM4AKDM6BSIGMAR1
SCHEMBL28168925 0.74 SIGMAR1 (0.51) SIGMAR1USP2POLBGAA
SCHEMBL15636697 0.74 KDM5C (0.48) TSHRHSD17B10KDM5BKDM5CKDM4A
SCHEMBL15637624 0.72 MCHR1 (0.46) KDM5BKDM5CKDM4AKDM5AKDM6B
SCHEMBL15994202 0.72 SIGMAR1 (0.59) SIGMAR1USP2POLBGAA
SCHEMBL16293099 0.72 SIGMAR1 (0.47) SIGMAR1CYP2D6CYP2C19SMN1; SMN2POLB
SCHEMBL16293808 0.71 SIGMAR1 (0.58) SIGMAR1USP2POLBGAA

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-20170320827-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2017-11-09 — — 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-20170320827-A1 INHIBITORS OF HISTONE DEMETHYLASES EHMT1, KDM1B, EHMT2 TSHR 4436/4885HSD17B10 1487/4885KDM5B 34/4885

“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.

Send feedback