SCHEMBL1277253

SCHEMBL1277253

C/C(=C\c1ccc(-c2ccc(F)c(O)c2)cc1)C(=O)NC(=N)N

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.42
HSD17B1 P14061 5/20 0.38
HSD17B2 P37059 5/20 0.38
KDM1A O60341 1/20 0.36
F10 P00742 2/20 0.35
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
ABL1 P00519 1/20 0.32
ERN1 O75460 1/20 0.32
KIF11 P52732 2/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DHODH Q02127 1/20 0.31

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
SCHEMBL1277330 0.89 PPM1B (0.38) F10NPC1POLBMAPTRAB9A
SCHEMBL1277298 0.85 AR (0.42) ARHSD17B1HSD17B2KDM1AF10
SCHEMBL1277388 0.83 F10 (0.36) ARHSD17B1F10KDM4EDHODH
SCHEMBL1277288 0.83 ALDH1A1 (0.44) HSD17B1F10NPC1RAB9AKDM4E
SCHEMBL1277207 0.81 HSD17B1 (0.42) HSD17B1HSD17B2KDM1AF10DHODH
SCHEMBL1277503 0.80 AR (0.40) ARHSD17B1HSD17B2F10
SCHEMBL1277423 0.78 F10 (0.44) KDM1AF10NPC1POLBRAB9A
SCHEMBL1277424 0.78 F10 (0.44) KDM1AF10NPC1POLBRAB9A
SCHEMBL1708751 0.77 HDAC2 (0.43) F10NPC1POLBRAB9ADHODH
SCHEMBL1277382 0.76 KMT2A (0.40) NPC1POLBMAPTRAB9AKDM4E

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-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2012-04-12 US disclosed
US-20110082109-A1 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2011-04-07 US disclosed
US-20110082109-A1 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2011-04-07 US disclosed
US-20110082109-A1 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2011-04-07 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 (2 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-20110082109-A1 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 AR 4056/4885HSD17B1 2621/4885HSD17B2 2664/4885
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 AR 4056/4885HSD17B1 2621/4885HSD17B2 2664/4885

“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.