SCHEMBL4253890

SCHEMBL4253890

O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.68
▸ KMT2A Q03164 8/20 0.68
▸ NPC1 O15118 7/20 0.68
▸ RAB9A P51151 6/20 0.68
▸ MAPT P10636 4/20 0.68
▸ KDM4E B2RXH2 3/20 0.68
▸ GAA P10253 2/20 0.68
▸ PTGS1 P23219 1/20 0.68
▸ TBXAS1 P24557 1/20 0.68
▸ MAPK1 P28482 1/20 0.68
▸ PTGS2 P35354 1/20 0.68
▸ MAPK14 Q16539 1/20 0.68
▸ JAK2 O60674 1/20 0.65
▸ JAK1 P23458 1/20 0.65
▸ TYK2 P29597 1/20 0.65
▸ AVPR2 P30518 1/20 0.62
▸ GPR27 Q9NS67 1/20 0.62
▸ NR1H4 Q96RI1 1/20 0.62
▸ CYP2C19 P33261 1/20 0.61
▸ EPHX1 P07099 2/20 0.60

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
SCHEMBL7341264 0.89 TSHR (0.68) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL18290067 0.87 PNLIP (0.67) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL14426572 0.86 RAB9A (0.74) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL467396 0.84 P2RX1 (0.77) PTGS1TBXAS1MAPK1PTGS2MAPK14
SCHEMBL14228391 0.83 JAK2 (0.69) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL8316833 0.83 SMN1; SMN2 (0.61) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2681276 0.82 RAB9A (0.69) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1753321 0.82 JAK2 (0.68) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL2226570 0.82 JAK2 (0.68) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL678770 0.82 JAK2 (0.68) MEN1KMT2ANPC1RAB9AMAPT

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-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-20090036420-A1 BENZAMIDE DERIVATIVES AND THEIR USE FOR TREATING CNS DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 — — US disclosed
EP-1638556-B1 2-AMINOBENZOTHIAZOLES AS CB1 RECEPTOR INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-04-02 — — 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 MEN1 1233/4885KMT2A 632/4885NPC1 869/4885

“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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