SCHEMBL6833642

SCHEMBL6833642

N#Cc1ccc(NC(=O)c2ccc3ccccc3n2)c(C(=O)O)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.67
SMN1; SMN2 Q16637 7/20 0.67
NPC1 O15118 7/20 0.67
ALDH1A1 P00352 6/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
TP53 P04637 3/20 0.67
HPGD P15428 2/20 0.67
CYP1A2 P05177 1/20 0.67
CYP2C9 P11712 1/20 0.67
NFKB1 P19838 4/20 0.53
NFKB2 Q00653 4/20 0.53
RELA Q04206 4/20 0.53
MAPT P10636 4/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
RECQL P46063 1/20 0.49
GPR35 Q9HC97 1/20 0.47
KDM4E B2RXH2 3/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC1 Q13547 1/20 0.47

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
SCHEMBL6834207 0.82 RAB9A (0.72) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1
SCHEMBL6835589 0.81 PYGL (0.50) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1
SCHEMBL18963259 0.81 RAB9A (1.00) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1
SCHEMBL6833859 0.81 GRM4 (0.61) RAB9ANPC1ALDH1A1KMT2ANFKB1
SCHEMBL6833128 0.80 GRM5 (0.44) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1
SCHEMBL6352338 0.80 KMT2A (0.57) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL6353963 0.79 KMT2A (0.62) ALDH1A1MEN1KMT2AMAPTTSHR
SCHEMBL6833895 0.77 SMN1; SMN2 (0.55) RAB9ASMN1; SMN2NPC1ALDH1A1MEN1
SCHEMBL6348609 0.77 KMT2A (0.44) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL6350942 0.77 GFER (0.70) RAB9ASMN1; SMN2ALDH1A1MEN1KMT2A

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 RAB9A 4337/4885SMN1; SMN2 2022/4885NPC1 3778/4885

“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.