SCHEMBL18029152

SCHEMBL18029152

Cc1c(CC(N)C(=O)O)c2c(Br)cccc2n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
RECQL P46063 1/20 0.41
SLC7A5 Q01650 4/20 0.39
ALPI P09923 1/20 0.39
PKM P14618 1/20 0.39
PTGS1 P23219 1/20 0.39
XIAP P98170 1/20 0.39
GRIA1 P42261 5/20 0.37
GRIA3 P42263 5/20 0.37
GRIA2 P42262 4/20 0.37
GRIA4 P48058 4/20 0.37
CNR2 P34972 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
GRIK1 P39086 2/20 0.35
GRIK5 Q16478 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL18029160 0.87 GRIA1 (0.42) MAPTALDH1A1RECQLSLC7A5ALPI
SCHEMBL19871274 0.86 MAPT (0.40) MAPTALDH1A1RECQLSLC7A5ALPI
SCHEMBL18029093 0.86 PLA2G2A (0.44) MAPTALDH1A1RECQLSLC7A5ALPI
SCHEMBL18029300 0.85 AKR1B1 (0.40) MAPTALDH1A1RECQLSLC7A5ALPI
SCHEMBL18029088 0.85 ALDH1A1 (0.39) MAPTALDH1A1RECQLSLC7A5ALPI
SCHEMBL18029362 0.82 MAPT (0.38) MAPTALDH1A1RECQLSLC7A5ALPI
SCHEMBL18029326 0.82 MAPT (0.38) MAPTALDH1A1RECQLSLC7A5ALPI
SCHEMBL18029282 0.82 PLA2G2A (0.47) MAPTALDH1A1RECQLSLC7A5GRIK1
SCHEMBL18028963 0.82 PTGDR2 (0.40) MAPTALDH1A1RECQLSLC7A5ALPI
SCHEMBL19871279 0.81 MAPT (0.37) MAPTALDH1A1RECQLSLC7A5ALPI

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 4 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-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.