SCHEMBL16830720

SCHEMBL16830720

ON=c1ccccn1Cc1cnc(Cl)s1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 4/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ RECQL P46063 1/20 0.44
▸ GAA P10253 1/20 0.38
▸ HSD17B13 Q7Z5P4 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ ALOX12 P18054 1/20 0.33

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
SCHEMBL16830719 1.00 ALDH1A1 (0.47) ALDH1A1LMNAKMT2ARECQLGAA
SCHEMBL16846315 0.86 ALDH1A1 (0.47) ALDH1A1LMNAKMT2ARECQLGAA
Hydrochloric Acid SCHEMBL16830724 0.84 ALDH1A1 (0.46) ALDH1A1LMNAKMT2ARECQLGAA
Hydrochloric Acid SCHEMBL16830727 0.84 ALDH1A1 (0.46) ALDH1A1LMNAKMT2ARECQLGAA
SCHEMBL9839056 0.82 ALDH1A1 (0.44) ALDH1A1LMNAKMT2ARECQLGAA
SCHEMBL9839051 0.82 ALDH1A1 (0.44) ALDH1A1LMNAKMT2ARECQLGAA
SCHEMBL15224417 0.80 ALDH1A1 (0.40) ALDH1A1LMNAKMT2ARECQLGAA
SCHEMBL15224418 0.80 ALDH1A1 (0.40) ALDH1A1LMNAKMT2ARECQLGAA
SCHEMBL16830730 0.78 ALDH1A1 (0.54) ALDH1A1LMNAKMT2ARECQLGAA
SCHEMBL16846317 0.78 ALDH1A1 (0.51) ALDH1A1LMNAKMT2ARECQLGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160326153-A1 N-SUBSTITUTED IMINO HETEROCYCLIC COMPOUNDS BASF SE (DE) 2016-11-10 — — US disclosed
EP-3083581-A1 N-SUBSTITUTED IMINO HETEROCYCLIC COMPOUNDS BASF SE (DE) 2016-10-26 — — EP disclosed
WO-2015091649-A1 N-SUBSTITUTED IMINO HETEROCYCLIC COMPOUNDS BASF SE (DE) 2015-06-25 — — 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-20160326153-A1 N-SUBSTITUTED IMINO HETEROCYCLIC COMPOUNDS CBR3, C5, PRDX2 ALDH1A1 4406/4885LMNA 1293/4885KMT2A 2896/4885

“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.

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