SCHEMBL18029328

SCHEMBL18029328

NC(Cc1c[nH]c2cccc(-c3ccccc3)c12)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.63
KDM4E B2RXH2 3/20 0.63
MAPT P10636 3/20 0.63
LMNA P02545 2/20 0.63
TSHR P16473 2/20 0.63
BLM P54132 2/20 0.63
PMP22 Q01453 2/20 0.63
MEN1 O00255 2/20 0.63
MPO P05164 1/20 0.63
HIF1A Q16665 1/20 0.63
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
HTR1A P08908 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
ALOX15 P16050 1/20 0.49
NFKB1 P19838 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
SLC6A4 P31645 1/20 0.49
HTR7 P34969 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
SCHEMBL18029000 1.00 KMT2A (0.63) KMT2AKDM4EMAPTLMNATSHR
SCHEMBL18029027 0.90 KMT2A (0.54) KMT2AKDM4EMAPTLMNATSHR
SCHEMBL18029240 0.90 KMT2A (0.54) KMT2AKDM4EMAPTLMNATSHR
SCHEMBL7038100 0.84 KDM4E (0.66) KMT2AKDM4EMAPTLMNATSHR
SCHEMBL18029267 0.82 KMT2A (0.68) KMT2AKDM4EMAPTLMNATSHR
SCHEMBL30356567 0.82 KMT2A (0.63) KMT2AKDM4EMAPTLMNATSHR
SCHEMBL30084863 0.82 KMT2A (0.68) KMT2AKDM4EMAPTLMNATSHR
SCHEMBL1460641 0.82 KMT2A (0.68) KMT2AKDM4EMAPTLMNATSHR
SCHEMBL1114867 0.82 KMT2A (0.68) KMT2AKDM4EMAPTLMNATSHR
SCHEMBL458570 0.82 KMT2A (0.63) KMT2AKDM4EMAPTLMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240229090-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-07-11 US disclosed
US-20230287466-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH (US) 2023-09-14 US disclosed
WO-2018081456-A1 HIGHLY ACTIVE SELF-SUFFICIENT NITRATION BIOCATALYSTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2018-05-03 WO disclosed
US-20180044291-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED 2018-02-15 US disclosed
WO-2016134145-A9 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2017-02-16 WO disclosed
WO-2016134145-A2 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2016-08-25 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-20180044291-A1 ARTIFICIAL SELF-SUFFICIENT CYTOCHROME P450S CYP4F2, POR, CYP4F3 KMT2A 2741/4885KDM4E 3127/4885MAPT 4241/4885

“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.