SCHEMBL4250218

SCHEMBL4250218

COc1cccc(NC(=O)c2cc(OC)c(Cl)c([N+](=O)[O-])c2)c1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.61
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ NPC1 O15118 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL4256963 0.84 MEN1 (0.64) MEN1KMT2A
SCHEMBL3645711 0.80 JAK2 (0.64) JAK2
SCHEMBL3645551 0.80 — —
SCHEMBL3638667 0.80 JAK2 (0.64) JAK2MEN1KMT2A
SCHEMBL4253854 0.79 MAPT (0.66) JAK2
SCHEMBL3642177 0.78 MAPT (0.64) JAK2
SCHEMBL24084153 0.78 ALDH1A1 (0.55) MEN1KMT2AALDH1A1CYP3A4TSHR
SCHEMBL1986154 0.77 KMT2A (0.74) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL23412417 0.77 ALDH1A1 (0.76) MEN1KMT2ARAB9AALDH1A1CYP3A4
SCHEMBL3638996 0.77 MAPT (0.76) JAK2MEN1KMT2A

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 2 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

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 JAK2 1211/4885MEN1 1233/4885KMT2A 632/4885

“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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