SCHEMBL2315860

SCHEMBL2315860

CN1CCC(NC(=O)c2c3c(nc4ccccc24)CCN(CC2COc4ccc(Cl)cc4C2)C3)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ KMT2A Q03164 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MAPT P10636 3/20 0.42
▸ POLB P06746 3/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ LMNA P02545 4/20 0.38
▸ GAA P10253 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ CFTR P13569 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
SCHEMBL2445466 0.87 ALDH1A1 (0.54) ALDH1A1MAPK1KMT2AHTTSMN1; SMN2
SCHEMBL12301210 0.87 ALDH1A1 (0.54) ALDH1A1MAPK1KMT2AHTTSMN1; SMN2
SCHEMBL2443199 0.82 ALDH1A1 (0.58) ALDH1A1MAPK1KMT2AHTTSMN1; SMN2
SCHEMBL2448634 0.78 ALDH1A1 (0.60) ALDH1A1MAPK1KMT2AHTTSMN1; SMN2
SCHEMBL2450810 0.77 ALDH1A1 (0.52) ALDH1A1MAPK1KMT2AHTTSMN1; SMN2
SCHEMBL2443247 0.77 ALDH1A1 (0.55) ALDH1A1MAPK1KMT2AHTTSMN1; SMN2
SCHEMBL2442636 0.75 ALDH1A1 (0.52) ALDH1A1MAPK1KMT2AHTTSMN1; SMN2
SCHEMBL2446049 0.74 ALDH1A1 (0.54) ALDH1A1MAPK1KMT2AHTTSMN1; SMN2
SCHEMBL2442095 0.74 ALDH1A1 (0.54) ALDH1A1MAPK1KMT2AHTTSMN1; SMN2
SCHEMBL2447811 0.74 ALDH1A1 (0.54) ALDH1A1MAPK1KMT2AHTTSMN1; SMN2

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-20110230471-A1 BENZONAPHTYRIDINE COMPOUNDS AS INHIBITORS OF AUTOTAXIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-22 — — US disclosed
EP-2352733-A1 BENZONAPHTYRIDINE COMPOUNDS USED AS INHIBITORS OF AUTOTAXIN Merck Patent GmbH (DE) 2011-08-10 — — EP disclosed
WO-2010060532-A1 BENZONAPHTYRIDINE COMPOUNDS USED AS INHIBITORS OF AUTOTAXIN MERCK PATENT GMBH (DE) 2010-06-03 — — 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-20110230471-A1 BENZONAPHTYRIDINE COMPOUNDS AS INHIBITORS OF AUTOTAXIN ENPP2, TPX2, TPD52L2 ALDH1A1 4584/4885MAPK1 3988/4885KMT2A 1069/4885

“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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