SCHEMBL29409209

SCHEMBL29409209

O=C(Cc1cccc2ccccc12)Nc1cc(C(=O)O)ccn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
KDM4E B2RXH2 2/20 0.55
LMNA P02545 1/20 0.55
HPGD P15428 1/20 0.55
PTGER4 P35408 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
ALDH1A1 P00352 2/20 0.53
CCNA2 P20248 1/20 0.52
CDK2 P24941 1/20 0.52
CCNA1 P78396 1/20 0.52
CDK5 Q00535 2/20 0.51
CDK5R1 Q15078 2/20 0.51
NPY5R Q15761 1/20 0.50
GAA P10253 1/20 0.50
KDM4A O75164 1/20 0.50
KDM4C Q9H3R0 1/20 0.50
GSK3B P49841 1/20 0.50
MAPK10 P53779 1/20 0.49

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
SCHEMBL34463090 0.80 TSHR (0.55) MEN1KMT2AKDM4ELMNASMN1; SMN2
SCHEMBL28967781 0.76 CYP2C9 (0.54) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL19615585 0.76 ALDH1A1 (0.50) POLBMEN1KMT2AKDM4ELMNA
SCHEMBL8987871 0.76 ALDH1A1 (0.53) POLBMEN1KMT2AKDM4ELMNA
SCHEMBL30253543 0.76 CYP2C9 (0.54) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL30253736 0.75 CYP2C9 (0.53) POLBMEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL28967775 0.75 CYP2C9 (0.53) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL28967801 0.75 CYP2C9 (0.53) POLBMEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL30253848 0.75 CYP2C9 (0.53) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL14520097 0.74 MEN1 (0.66) POLBMEN1KMT2AKDM4ELMNA

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-20220202792-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES UNIVERSITY OF HOUSTON SYSTEM (US) 2022-06-30 US disclosed
EP-3962559-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES University of Houston System (US) 2022-03-09 EP 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-20220202792-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC INFLAMMATORY INJURY, METAPLASIA, DYSPLASIA AND CANCERS OF EPITHELIAL TISSUES FABP2, MUC1, FABP6 POLB 1434/4885MEN1 3526/4885KMT2A 4230/4885

“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.