SCHEMBL2451491

SCHEMBL2451491

O=C(CN1CCc2nc3ccccc3c(C(=O)N3CCOCC3)c2C1)Nc1cncc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.45
▸ MAPT P10636 5/20 0.45
▸ LMNA P02545 5/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ KDM4E B2RXH2 5/20 0.42
▸ GAA P10253 4/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ NPC1 O15118 1/20 0.40

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
SCHEMBL2445695 0.91 LMNA (0.47) ALDH1A1MAPTLMNANPSR1HTT
SCHEMBL2322929 0.85 LMNA (0.47) ALDH1A1MAPTLMNANPSR1HTT
SCHEMBL2445770 0.84 LMNA (0.43) ALDH1A1MAPTLMNANPSR1HTT
SCHEMBL2321536 0.84 MAPT (0.48) ALDH1A1MAPTLMNANPSR1HTT
SCHEMBL2450727 0.84 ALDH1A1 (0.47) ALDH1A1MAPTLMNANPSR1HTT
SCHEMBL2445264 0.84 LMNA (0.45) ALDH1A1MAPTLMNANPSR1HTT
SCHEMBL2323535 0.82 POLB (0.56) ALDH1A1MAPTLMNAHSD17B10MAPK1
SCHEMBL2322493 0.82 LMNA (0.45) ALDH1A1MAPTLMNANPSR1HTT
SCHEMBL2443108 0.81 ALDH1A1 (0.53) ALDH1A1MAPTLMNANPSR1HTT
SCHEMBL2318987 0.81 ALDH1A1 (0.50) ALDH1A1MAPTLMNANPSR1HTT

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-20110230471-A1 BENZONAPHTYRIDINE COMPOUNDS AS INHIBITORS OF AUTOTAXIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-22 — — US disclosed
US-20110230471-A1 BENZONAPHTYRIDINE COMPOUNDS AS INHIBITORS OF AUTOTAXIN MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-09-22 — — 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-20110230471-A1 BENZONAPHTYRIDINE COMPOUNDS AS INHIBITORS OF AUTOTAXIN ENPP2, TPX2, TPD52L2 ALDH1A1 4584/4885MAPT 2887/4885LMNA 579/4885

“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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