SCHEMBL19497773

SCHEMBL19497773

C=CC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GSTO1 P78417 11/20 1.00
▸ RAB9A P51151 4/20 0.70
▸ NPC1 O15118 2/20 0.70
▸ MEN1 O00255 4/20 0.64
▸ KMT2A Q03164 4/20 0.64
▸ AR P10275 1/20 0.59
▸ CSNK2A1 P68400 1/20 0.57
▸ KDM4E B2RXH2 2/20 0.55
▸ MAPT P10636 2/20 0.55
▸ NPSR1 Q6W5P4 2/20 0.55
▸ MAOA P21397 1/20 0.55
▸ MAOB P27338 1/20 0.55
▸ PTGES O14684 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ GAA P10253 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ VCP P55072 1/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL21495041 0.85 GSTO1 (1.00) GSTO1RAB9ANPC1MEN1KMT2A
SCHEMBL30581066 0.84 RAB9A (0.78) GSTO1RAB9ANPC1MEN1KMT2A
SCHEMBL24026399 0.80 RAB9A (0.74) GSTO1RAB9ANPC1MEN1KMT2A
SCHEMBL7256703 0.80 RAB9A (0.70) GSTO1RAB9ANPC1MEN1KMT2A
SCHEMBL7258047 0.80 RAB9A (0.70) GSTO1RAB9ANPC1MEN1KMT2A
SCHEMBL7239525 0.78 RAB9A (0.86) GSTO1RAB9ANPC1MEN1KMT2A
SCHEMBL7239062 0.78 RAB9A (1.00) GSTO1RAB9ANPC1MEN1KMT2A
SCHEMBL1514632 0.78 RAB9A (0.67) GSTO1RAB9ANPC1MEN1KMT2A
SCHEMBL30660072 0.77 RAB9A (0.67) GSTO1RAB9ANPC1MEN1KMT2A
SCHEMBL3608900 0.77 RAB9A (0.67) GSTO1RAB9ANPC1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180037817-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2018-02-08 — — US disclosed
US-20170306233-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2017-10-26 — — US disclosed
US-20170306233-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2017-10-26 — — 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-20170306233-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY SMC4, PHOSPHO1, SMCHD1 GSTO1 3933/4885RAB9A 4246/4885NPC1 2476/4885

“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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