SCHEMBL1277307

SCHEMBL1277307

C/C(=C\c1ccc(-c2ccoc2)cc1)C(=O)NC(=N)N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.34
POLB P06746 1/20 0.34
LTA4H P09960 1/20 0.33
ERN1 O75460 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KDM1B Q8NB78 1/20 0.33
RCOR1 Q9UKL0 1/20 0.33
HDAC2 Q92769 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA2B P29275 1/20 0.32
F10 P00742 2/20 0.32
NR4A2 P43354 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
ALDH1A1 P00352 2/20 0.32
DHODH Q02127 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32

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
SCHEMBL1277288 0.82 ALDH1A1 (0.44) RAB9AHDAC2F10SMN1; SMN2HPGD
SCHEMBL1708751 0.79 HDAC2 (0.43) RAB9APOLBHDAC2F10SMN1; SMN2
SCHEMBL1277330 0.78 PPM1B (0.38) RAB9APOLBERN1HDAC2F10
SCHEMBL1277382 0.78 KMT2A (0.40) RAB9APOLBSMN1; SMN2ALDH1A1DHODH
SCHEMBL5426994 0.76 AKR1C3 (0.55) RAB9APOLBSMN1; SMN2HPGDALDH1A1
SCHEMBL5426989 0.76 AKR1C3 (0.55) RAB9APOLBSMN1; SMN2HPGDALDH1A1
SCHEMBL1277207 0.76 HSD17B1 (0.42) KDM1AF10DHODHTRPM8HDAC1
SCHEMBL1277253 0.75 AR (0.42) RAB9APOLBERN1KDM1AF10
SCHEMBL1277423 0.74 F10 (0.44) RAB9APOLBKDM1AF10SMN1; SMN2
SCHEMBL1277424 0.74 F10 (0.44) RAB9APOLBKDM1AF10SMN1; SMN2

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 6 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-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2012-04-12 US disclosed
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 RAB9A 722/4885POLB 4738/4885LTA4H 3354/4885
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 RAB9A 722/4885POLB 4738/4885LTA4H 3354/4885

“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.