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SCHEMBL5220586

SCHEMBL5220586

Cn1cc(C(=O)c2c[n+](C(c3ccccc3)(c3ccccc3)c3ccccc3)c[nH]2)cc1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ HTT P42858 4/20 0.37
▸ CYP1A2 P05177 3/20 0.37
▸ CYP2C19 P33261 3/20 0.37
▸ TDP1 Q9NUW8 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HDAC10 Q969S8 2/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 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
SCHEMBL10944422 0.71 CYP2C9 (0.57) CYP2C9KMT2AMEN1POLBHTT
SCHEMBL5220589 0.71 CYP2C9 (0.40) CYP2C9KMT2AMEN1POLBHTT
SCHEMBL5220262 0.71 GAA (0.47) CYP2C9KMT2AMEN1POLBHTT
SCHEMBL5220582 0.70 CYP2C9 (0.39) CYP2C9KMT2AMEN1POLBHTT
SCHEMBL5216640 0.69 CYP2C9 (0.41) CYP2C9KMT2AMEN1POLBHTT
SCHEMBL5216771 0.67 HTT (0.52) CYP2C9KMT2AMEN1POLBHTT
Hydrochloric Acid SCHEMBL6955433 0.66 CYP2C9 (0.45) CYP2C9KMT2AMEN1POLBHTT
SCHEMBL6954324 0.66 GSK3B (0.54) CYP2C9KMT2AMEN1POLBHTT
SCHEMBL5224020 0.65 NPC1 (0.39) CYP2C9KMT2AMEN1POLBHTT
SCHEMBL10938419 0.64 HDAC10 (0.55) CYP2C9KMT2AMEN1POLBTDP1

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
EP-1458386-B1 AROYL PYRROLE HETEROERYL AND METHANOLS USEFUL FOR TREATING A CENTRAL NERVOUS SYSTEM DISORDER ORTHO MCNEIL PHARM INC (US) 2007-04-18 — — EP disclosed
US-20050148636-A1 Useful aroyl pyrrole heteroaryl methanones and methanols JANSSEN PHARMACEUTICA, N.V. (BE) 2005-07-07 — — US disclosed
US-6897319-B2 Useful aroyl pyrrole heteroaryl methanones and methanols ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2005-05-24 — — US disclosed
US-20040058980-A1 Useful aroyl pyrrole heteroaryl methanones and methanols ORTHO-MCNEIL PHARMACEUTICALS, INC. 2004-03-25 — — US disclosed
US-20030181481-A1 Useful aroyl pyrrole heteroaryl methanones and methanols ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-09-25 — — 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 (3 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-20050148636-A1 Useful aroyl pyrrole heteroaryl methanones and methanols CYP11B2, NLN, CNR2 CYP2C9 521/4885KMT2A 2816/4885MEN1 706/4885
US-20040058980-A1 Useful aroyl pyrrole heteroaryl methanones and methanols CYP11B2, NLN, CNR2 CYP2C9 521/4885KMT2A 2816/4885MEN1 706/4885
US-20030181481-A1 Useful aroyl pyrrole heteroaryl methanones and methanols CYP11B2, NLN, CNR2 CYP2C9 521/4885KMT2A 2816/4885MEN1 706/4885

“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.