SCHEMBL6714259

SCHEMBL6714259

O=C1c2ccccc2C(=O)N1CCCCNc1ccc(Cl)cc1C(=O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 8/20 0.49
▸ GRM5 P41594 2/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HDAC7 Q8WUI4 1/20 0.45
▸ POLB P06746 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL8158539 0.79 CDK1 (0.48) KMT2AALDH1A1HTTMEN1MAPT
SCHEMBL13698953 0.75 ACHE (0.57) ACHEKMT2AALDH1A1HTTMEN1
SCHEMBL8508385 0.73 MRGPRX4 (0.49) KMT2AALDH1A1MEN1MAPTHPGD
SCHEMBL6513151 0.72 CES1 (0.52) ACHEKMT2AMEN1POLBCASP1
SCHEMBL10130293 0.71 MEN1 (0.59) KMT2AALDH1A1HTTMEN1MAPT
SCHEMBL13713255 0.71 GRM5 (0.56) GRM5HTTMAPTSMN1; SMN2
SCHEMBL31257881 0.70 ALDH1A1 (0.47) GRM5KMT2AALDH1A1HTTMEN1
SCHEMBL1296639 0.69 ACHE (0.64) ACHEKMT2AALDH1A1HTTMEN1
SCHEMBL19830158 0.69 MAPT (0.53) KMT2AALDH1A1HTTMEN1MAPT
SCHEMBL11532947 0.68 HDAC8 (0.60) ACHEKMT2AALDH1A1HPGDSMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040023290-A1 Novel therapeutic agents that modulate enzymatic processes THERAVANCE BIOPHARMA R&D IP, LLC 2004-02-05 — — US disclosed
EP-0989857-A4 NOVEL THERAPEUTIC AGENTS THAT MODULATE ENZYMATIC PROCESSES ADVANCED MEDICINE INC (US) 2001-01-17 — — EP disclosed
EP-0989857-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE ENZYMATIC PROCESSES Advanced Medicine, Inc. (US) 2000-04-05 — — EP disclosed
WO-1999064037-A1 NOVEL THERAPEUTIC AGENTS THAT MODULATE ENZYMATIC PROCESSES ADVANCED MEDICINE, INC. (US) 1999-12-16 — — 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-20040023290-A1 Novel therapeutic agents that modulate enzymatic processes RNASE1, ENGASE, ENTPD5 ACHE 406/4885GRM5 2168/4885KMT2A 3736/4885

“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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