SCHEMBL16231782

SCHEMBL16231782

O=C(/C=C/c1ccc2c(c1)CCNC2)N1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ MAOB P27338 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ NPC1 O15118 3/20 0.51
▸ RAB9A P51151 3/20 0.51
▸ TRPV1 Q8NER1 2/20 0.51
▸ PLAU P00749 1/20 0.48
▸ MAPT P10636 3/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ PELI1 Q96FA3 2/20 0.47
▸ ALOX5 P09917 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ POLB P06746 1/20 0.45

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
Trifluoroacetic Acid SCHEMBL16228497 0.92 ALDH1A1 (0.46) ALDH1A1KMT2AMAOBKDM4ENPC1
Trifluoroacetic Acid SCHEMBL16228496 0.92 ALDH1A1 (0.46) ALDH1A1KMT2AMAOBKDM4ENPC1
SCHEMBL13469392 0.75 ALOX5 (0.67) ALDH1A1KMT2AMAOBKDM4ENPC1
SCHEMBL16230824 0.74 ESR1 (0.58) ALDH1A1KMT2AMAOBKDM4ENPC1
SCHEMBL4529378 0.74 F10 (0.55) ALDH1A1HPGD
SCHEMBL1560606 0.73 MAOB (0.78) ALDH1A1KMT2AMAOBKDM4ETRPV1
SCHEMBL16382869 0.73 MAOB (0.78) ALDH1A1KMT2AMAOBKDM4ETRPV1
SCHEMBL3944638 0.72 ASIC3 (0.55) MAOBPLAU
SCHEMBL14995211 0.72 ESR2 (0.61) ALDH1A1KMT2AMAOBKDM4ENPC1
SCHEMBL12334103 0.72 MAOB (0.81) ALDH1A1KMT2AMAOBKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9062002-B2 Substituted pyridine derivatives as FabI inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-06-23 — — US disclosed
US-20140336153-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS FABI INHIBITORS AURIGENE DISCOVERY TECH LTD (IN) 2014-11-13 — — US 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-20140336153-A1 SUBSTITUTED PYRIDINE DERIVATIVES AS FABI INHIBITORS F12, FAR1, NQO2 ALDH1A1 1613/4885KMT2A 4203/4885MAOB 270/4885

“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.

Send feedback