SCHEMBL16487202

SCHEMBL16487202

CCCCc1ccc(-c2ccc(NC(=O)O)cn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.59
NPC1 O15118 9/20 0.59
SMN1; SMN2 Q16637 8/20 0.59
NFKB1 P19838 3/20 0.59
NFKB2 Q00653 3/20 0.59
RELA Q04206 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.55
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 3/20 0.53
CASP3 P42574 3/20 0.53
SENP8 Q96LD8 3/20 0.53
SENP7 Q9BQF6 3/20 0.53
SENP6 Q9GZR1 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 2/20 0.53
MAPT P10636 3/20 0.52
STAT3 P40763 1/20 0.52
ATM Q13315 1/20 0.52
TP53 P04637 1/20 0.52
PTPN1 P18031 2/20 0.51

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
SCHEMBL16492878 0.84 CYP17A1 (0.50) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL2019464 0.81 POLB (0.70) RAB9ANPC1SMN1; SMN2MAPK1ALDH1A1
SCHEMBL9620512 0.79 RAB9A (0.71) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL9620816 0.79 RAB9A (0.81) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10556028 0.78 RAB9A (0.69) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10348007 0.78 RAB9A (0.66) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL30175860 0.78 RAB9A (0.65) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL2096981 0.78 THRA (0.66) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL10554223 0.78 RAB9A (0.79) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL10462426 0.78 RAB9A (0.79) RAB9ANPC1SMN1; SMN2NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160194358-A1 LINEAR PEPTIDE ANTIBIOTCS RQX PHARMACEUTICALS, INC. 2016-07-07 US disclosed
EP-3033352-A1 LINEAR PEPTIDE ANTIBIOTICS RQX Pharmaceuticals, Inc. (US) 2016-06-22 EP disclosed
WO-2015023898-A1 LINEAR PEPTIDE ANTIBIOTCS RQX PHARMACEUTICALS, INC. (US) 2015-02-19 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 (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-20160194358-A1 LINEAR PEPTIDE ANTIBIOTCS ANPEP, NPEPPS, PEPD RAB9A 2530/4885NPC1 4310/4885SMN1; SMN2 1435/4885

“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.