SCHEMBL4256368

SCHEMBL4256368

COc1ccc(C(=O)Nc2cccc(OC)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 10/20 1.00
▸ RAB9A P51151 9/20 1.00
▸ SMN1; SMN2 Q16637 5/20 1.00
▸ TP53 P04637 5/20 1.00
▸ ALDH1A1 P00352 4/20 1.00
▸ KMT2A Q03164 3/20 1.00
▸ PKM P14618 1/20 1.00
▸ NLRP3 Q96P20 1/20 0.82
▸ KCNK9 Q9NPC2 2/20 0.80
▸ RXFP1 Q9HBX9 1/20 0.79
▸ TRPV1 Q8NER1 1/20 0.78
▸ NFKB1 P19838 1/20 0.78
▸ NFKB2 Q00653 1/20 0.78
▸ RELA Q04206 1/20 0.78
▸ ADORA3 P0DMS8 1/20 0.74
▸ MEN1 O00255 2/20 0.73
▸ CYP1A2 P05177 2/20 0.73
▸ CYP3A4 P08684 2/20 0.73
▸ CYP2C9 P11712 2/20 0.73
▸ CYP2C19 P33261 2/20 0.73

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
SCHEMBL10055020 0.97 NPC1 (0.94) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL31179863 0.91 NPC1 (0.83) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL4252397 0.91 NPC1 (0.83) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL29800540 0.90 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL2176828 0.90 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL13213708 0.89 NPC1 (0.81) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL4250977 0.89 NPC1 (0.81) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL94789 0.89 NPC1 (0.81) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL4251080 0.89 NPC1 (0.81) NPC1RAB9ASMN1; SMN2TP53ALDH1A1
SCHEMBL4248632 0.89 RAB9A (0.81) NPC1RAB9ASMN1; SMN2TP53ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — US disclosed
US-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — US disclosed
WO-2009016088-A1 THE USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — WO disclosed
US-6762205-B1 STEROID SULFATASE INHIBITORS WITHOUT ESTROGENIC SIDE EFFECT ACTION TEIKOKU HORMONE MFG. CO., LTD. (JP) 2004-07-13 — — US disclosed
EP-1193250-A1 PHENYL SULFAMATE DERIVATIVES Teikoku Hormone Mfg. Co., Ltd. (JP) 2002-04-03 — — EP 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-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS GABBR1, GABBR2, CHRM2 NPC1 869/4885RAB9A 733/4885SMN1; SMN2 155/4885

“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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