SCHEMBL6830741

SCHEMBL6830741

Cc1ccccc1CC(=O)Nc1cccc2cc(C(=O)Nc3ccc(C#N)cc3C(=O)O)[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
NSD2 O96028 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
KDM4E B2RXH2 3/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
PTGER4 P35408 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
GAA P10253 2/20 0.40
POLB P06746 3/20 0.40
NR1H4 Q96RI1 1/20 0.39
ALB P02768 1/20 0.38

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
SCHEMBL6834299 0.91 MEN1 (0.56) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL6834412 0.90 KDM4E (0.55) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL6833087 0.90 MEN1 (0.44) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL6834504 0.89 LMNA (0.47) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL6835743 0.88 MEN1 (0.42) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL6834072 0.87 ALDH1A1 (0.41) ALDH1A1NSD2MEN1KMT2AKDM4E
SCHEMBL6830151 0.87 ALB (0.42) NSD2KMT2ALMNAPOLBNR1H4
SCHEMBL6833157 0.86 PARP14 (0.42) ALDH1A1NSD2MEN1KMT2AKDM4E
SCHEMBL6914679 0.86 KDM4E (0.45) MEN1KMT2AKDM4ELMNAHPGD
SCHEMBL6834298 0.85 MEN1 (0.44) ALDH1A1MEN1KMT2AKDM4ELMNA

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 ALDH1A1 170/4885NSD2 3447/4885MEN1 4132/4885

“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.