SCHEMBL18029031

SCHEMBL18029031

Cn1cc(CC(N)C(=O)O)c2c(Br)cccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
RECQL P46063 2/20 0.48
NOS3 P29474 4/20 0.40
NOS1 P29475 4/20 0.40
NOS2 P35228 4/20 0.40
PKM P14618 2/20 0.40
ALPI P09923 1/20 0.40
PTGS1 P23219 1/20 0.40
XIAP P98170 1/20 0.40
SLC7A5 Q01650 1/20 0.40
HTR2A P28223 3/20 0.38
HTR2C P28335 3/20 0.38
HTR2B P41595 3/20 0.38
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
BLM P54132 2/20 0.37
PMP22 Q01453 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL18029043 0.85 HTR2A (0.55) MAPTALDH1A1RECQLNOS3NOS1
SCHEMBL18029009 0.85 MAPT (0.49) MAPTALDH1A1RECQLNOS3NOS1
SCHEMBL18029254 0.85 CMA1 (0.51) MAPTALDH1A1RECQLNOS3NOS1
SCHEMBL18029258 0.84 MAPT (0.48) MAPTALDH1A1RECQLNOS3NOS1
SCHEMBL18029273 0.84 MAPT (0.48) MAPTALDH1A1RECQLNOS3NOS1
SCHEMBL18029052 0.83 MAPT (0.50) MAPTALDH1A1RECQLNOS3NOS1
SCHEMBL23226425 0.83 HTR2A (0.35) HTR2AHTR2CHTR2BKDM4EMEN1
SCHEMBL18029234 0.82 MAPT (0.46) MAPTALDH1A1RECQLNOS3NOS1
SCHEMBL18029079 0.82 MAPT (0.46) MAPTALDH1A1RECQLNOS3NOS1
SCHEMBL18029365 0.81 MAPT (0.45) MAPTALDH1A1RECQLNOS3NOS1

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 5 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
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 MAPT 4241/4885ALDH1A1 449/4885RECQL 1048/4885

“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.