SCHEMBL19220973

SCHEMBL19220973

Cc1ccc(-c2ccc(C(=O)O)c(Cl)n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.71
ALDH1A1 P00352 5/20 0.54
RXFP1 Q9HBX9 1/20 0.54
DHODH Q02127 2/20 0.54
RAB9A P51151 3/20 0.51
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPC1 O15118 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
AKR1C2 P52895 1/20 0.46
AKR1C1 Q04828 1/20 0.46
ALPL P05186 1/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 2/20 0.44
MCL1 Q07820 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL19220975 0.85 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1RXFP1DHODHRAB9A
SCHEMBL10900818 0.84 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1RXFP1DHODHRAB9A
SCHEMBL15630525 0.83 DHODH (0.54) SMN1; SMN2ALDH1A1RXFP1DHODHRAB9A
SCHEMBL17498455 0.83 KDM4E (0.56) SMN1; SMN2ALDH1A1RXFP1RAB9AMAPT
SCHEMBL11319316 0.81 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1RXFP1DHODHRAB9A
SCHEMBL3758452 0.79 KMO (0.58) SMN1; SMN2ALDH1A1RXFP1RAB9AKEAP1
SCHEMBL4412318 0.77 SMN1; SMN2 (0.76) SMN1; SMN2ALDH1A1RXFP1DHODHRAB9A
SCHEMBL3753490 0.75 KEAP1 (0.53) SMN1; SMN2ALDH1A1RXFP1DHODHRAB9A
SCHEMBL27225888 0.75 CASP1 (0.56) SMN1; SMN2ALDH1A1DHODHAKR1C2AKR1C1
SCHEMBL30850823 0.75 CASP1 (0.56) SMN1; SMN2ALDH1A1DHODHAKR1C2AKR1C1

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-20170224701-A1 INHIBITORS OF TRYPTOPHAN DIOXYGENASES (IDO1 and TDO) AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2017-08-10 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-20170224701-A1 INHIBITORS OF TRYPTOPHAN DIOXYGENASES (IDO1 and TDO) AND THEIR USE IN THERAPY IDO1, TDO2, IDO2 SMN1; SMN2 3658/4885ALDH1A1 1167/4885RXFP1 120/4885

“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.