SCHEMBL2321096

SCHEMBL2321096

O=C(CCc1ccc(Cl)c(Cl)c1)N1CCc2nc3ccccc3c(C(=O)N3CCOCC3)c2C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ MAPK1 P28482 2/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ GPBAR1 Q8TDU6 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.40
▸ TSHR P16473 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ PIK3R2 O00459 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ PIK3CB P42338 1/20 0.39
▸ PIK3CG P48736 1/20 0.39

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
SCHEMBL2451622 0.91 FKBP1A (0.45) FKBP1AMAPK1ALDH1A1GPBAR1TP53
SCHEMBL2322437 0.90 FKBP1A (0.55) FKBP1AKMT2AMAPK1ALDH1A1MEN1
SCHEMBL2322916 0.87 MAPK1 (0.44) FKBP1AKMT2AMAPK1ALDH1A1TP53
SCHEMBL2320028 0.84 MEN1 (0.39) FKBP1AKMT2AMAPK1ALDH1A1MEN1
SCHEMBL2320894 0.79 ALDH1A1 (0.47) FKBP1AKMT2AALDH1A1MEN1TDP1
SCHEMBL2449912 0.79 ALDH1A1 (0.45) KMT2AMAPK1ALDH1A1MEN1TDP1
SCHEMBL2320640 0.78 ALDH1A1 (0.60) KMT2AMAPK1ALDH1A1MEN1TDP1
SCHEMBL2321540 0.77 MAPK1 (0.48) KMT2AMAPK1ALDH1A1MEN1GPBAR1
SCHEMBL26454872 0.75 MAPT (0.61) KMT2AMAPK1ALDH1A1MEN1TDP1
SCHEMBL2321932 0.75 ALDH1A1 (0.50) KMT2AMAPK1ALDH1A1MEN1TDP1

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
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
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 FKBP1A 2555/4885KMT2A 1069/4885MAPK1 3988/4885

“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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