SCHEMBL11909404

SCHEMBL11909404

CNC(=O)c1cccc([N+](=O)[O-])c1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.58
SLC6A4 P31645 2/20 0.58
SLC6A3 Q01959 2/20 0.58
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.49
CTSD P07339 1/20 0.49
GLA P06280 1/20 0.47
CYP2C9 P11712 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
KCNMA1 Q12791 2/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.44
MEN1 O00255 2/20 0.44

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
SCHEMBL29155026 0.83 ALDH1A1 (0.59) ALDH1A1GAATSHRCTSDSMN1; SMN2
SCHEMBL31681433 0.83 GLA (0.57) ALDH1A1TSHRCTSDGLACYP2C9
SCHEMBL417378 0.83 ALDH1A1 (0.73) SLC6A2SLC6A4SLC6A3ALDH1A1GAA
SCHEMBL12260755 0.82 CRHBP (0.62) SLC6A2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL27602570 0.82 TSHR (0.68) SLC6A2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL7859174 0.81 TSHR (0.53) ALDH1A1TSHRCTSDGLACYP2C9
SCHEMBL2508349 0.81 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL960443 0.81 TSHR (0.53) ALDH1A1TSHRCTSDGLACYP2C9
SCHEMBL13070932 0.81 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL430054 0.81 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3ALDH1A1TSHR

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
CN-114591192-B Preparation method of N-cyclopropylmethyl aniline compound 江西仰立新材料有限公司 2024-06-21 CN disclosed
CN-114591192-A Preparation method of N-cyclopropylmethylaniline compound 江西仰立新材料有限公司 2022-06-07 CN disclosed
EP-2493310-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GlaxoSmithKline LLC (US) 2012-09-05 EP disclosed
US-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC 2012-08-16 US disclosed
WO-2011056635-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 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-20120208827-A1 BENZIMIDAZOLES AS FATTY ACID SYNTHASE INHIBITORS FASN, FADS1, FADS2 SLC6A2 4600/4885SLC6A4 3348/4885SLC6A3 4567/4885

“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.