SCHEMBL18029370

SCHEMBL18029370

CSc1cccc2c(CC(N)C(=O)O)cn(C)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
RECQL P46063 2/20 0.49
NOS3 P29474 4/20 0.41
NOS1 P29475 4/20 0.41
NOS2 P35228 4/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
BLM P54132 2/20 0.41
PMP22 Q01453 2/20 0.41
KMT2A Q03164 2/20 0.41
HIF1A Q16665 2/20 0.41
MPO P05164 1/20 0.41
TSHR P16473 1/20 0.41
SLC7A5 Q01650 4/20 0.38
PKM P14618 2/20 0.38
ALPI P09923 1/20 0.38
PTGS1 P23219 1/20 0.38
XIAP P98170 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
SCHEMBL18029055 0.83 PTGS2 (0.53) MAPTALDH1A1RECQLNOS3NOS1
SCHEMBL18509508 0.83 MAPT (0.52) MAPTALDH1A1RECQLNOS3NOS1
SCHEMBL27292620 0.83 MAPT (0.52) MAPTALDH1A1RECQLNOS3NOS1
SCHEMBL18029038 0.83 MAPT (0.52) MAPTALDH1A1RECQLNOS3NOS1
SCHEMBL23226270 0.82 ADAM17 (0.37) MAPTALDH1A1RECQLKDM4ELMNA
SCHEMBL18029277 0.82 MAPT (0.51) MAPTALDH1A1RECQLNOS3NOS1
SCHEMBL18029224 0.82 MAPT (0.51) MAPTALDH1A1RECQLNOS3NOS1
SCHEMBL25361432 0.82 MAPT (0.51) MAPTALDH1A1RECQLNOS3NOS1
SCHEMBL25361436 0.82 MAPT (0.51) MAPTALDH1A1RECQLNOS3NOS1
SCHEMBL27308103 0.82 MAPT (0.51) 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 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.