SCHEMBL1277288

SCHEMBL1277288

C/C(=C\c1ccc(-c2ccc(O)cc2)cc1)C(=O)NC(=N)N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HDAC1 Q13547 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
HSD17B1 P14061 1/20 0.39
ABCG2 Q9UNQ0 5/20 0.38
ESR1 P03372 2/20 0.38
DHODH Q02127 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
ESR2 Q92731 1/20 0.38
NQO2 P16083 1/20 0.35

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
SCHEMBL1277207 0.87 HSD17B1 (0.42) HDAC1HDAC6HSD17B1DHODHTRPM8
SCHEMBL1277330 0.86 PPM1B (0.38) ALDH1A1KDM4EHDAC1HDAC2PTGS1
SCHEMBL1277838 0.85 HSD17B1 (0.49) ALDH1A1KDM4EHSD17B1ESR1DHODH
SCHEMBL1708751 0.85 HDAC2 (0.43) ALDH1A1HDAC1HDAC2HDAC8DHODH
SCHEMBL1277388 0.84 F10 (0.36) ALDH1A1KDM4EHSD17B1ESR1DHODH
SCHEMBL1277382 0.83 KMT2A (0.40) ALDH1A1KDM4EHDAC1DHODHTRPM8
SCHEMBL1277253 0.83 AR (0.42) KDM4EHSD17B1DHODHHSD17B10NPC1
SCHEMBL1277423 0.82 F10 (0.44) ALDH1A1HDAC1HDAC6DHODHTRPM8
SCHEMBL1277424 0.82 F10 (0.44) ALDH1A1HDAC1HDAC6DHODHTRPM8
SCHEMBL1277307 0.82 RAB9A (0.34) ALDH1A1HDAC1HDAC2DHODHTRPM8

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-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

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 ALDH1A1 1459/4885KDM4E 1554/4885HDAC1 638/4885
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 ALDH1A1 1459/4885KDM4E 1554/4885HDAC1 638/4885

“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.