SCHEMBL3276898

SCHEMBL3276898

Nc1ccccc1NC(CO)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.46
HDAC3 O15379 12/20 0.46
HDAC2 Q92769 12/20 0.46
MAPK1 P28482 1/20 0.46
NCOR2 Q9Y618 7/20 0.44
HDAC4 P56524 5/20 0.44
HDAC7 Q8WUI4 5/20 0.44
HDAC10 Q969S8 5/20 0.44
HDAC11 Q96DB2 5/20 0.44
HDAC8 Q9BY41 5/20 0.44
HDAC6 Q9UBN7 5/20 0.44
HDAC9 Q9UKV0 5/20 0.44
HDAC5 Q9UQL6 5/20 0.44
MAPK13 O15264 2/20 0.41
MAPK12 P53778 2/20 0.41
MAPK11 Q15759 2/20 0.41
MAPK14 Q16539 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL30826531 0.85 HDAC1 (0.45) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL9066111 0.85 HDAC1 (0.45) HDAC1HDAC3HDAC2MAPK1NCOR2
Hydrochloric Acid SCHEMBL4954972 0.83 HDAC1 (0.45) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL31060414 0.82 HDAC1 (0.42) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL20840361 0.81 KMT2A (0.51) HDAC1HDAC3HDAC2MAPK1NCOR2
SCHEMBL12984801 0.81 ALDH1A1 (0.49) HDAC1HDAC3HDAC2HDAC4HDAC7
SCHEMBL3276911 0.80 PDCD1 (0.48) NPC1RAB9AALDH1A1MAPTKDM4E
SCHEMBL7561830 0.79 RAB9A (0.47) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL679864 0.79 RAB9A (0.47) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL27623107 0.79 HTT (0.45) MAPK1NPC1RAB9AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687435-B2 Benzoyl-substituted phenylalanineamides BASF AKTIENGESELLSCHAFT (DE) 2010-03-30 US disclosed
US-20070142230-A1 Benzoyl-substituted phenylalanineamides BASF AKTIENGESELLSCHAFT (DE) 2007-06-21 US disclosed
US-20070060480-A1 Heteroaroyl-substituted phenylalanineamides BASF AKTIENGESELLSCHAFT (DE) 2007-03-15 US disclosed
EP-1203083-A1 CHLORAMPHENICOL BIOSYNTHETIC PATHWAY AND GENE CLUSTER CHARACTERIZATION Diversa Corporation (US) 2002-05-08 EP disclosed
WO-2000070056-A1 CHLORAMPHENICOL BIOSYNTHETIC PATHWAY AND GENE CLUSTER CHARACTERIZATION DIVERSA CORPORATION (US) 2000-11-23 WO 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-20070142230-A1 Benzoyl-substituted phenylalanineamides PAH, TYR, BCAT2 HDAC1 3630/4885HDAC3 3834/4885HDAC2 3654/4885
US-20070060480-A1 Heteroaroyl-substituted phenylalanineamides PAH, PM20D2, FARSA HDAC1 3163/4885HDAC3 3237/4885HDAC2 3027/4885

“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.