SCHEMBL17287798

SCHEMBL17287798

O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccccc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 7/20 1.00
▸ NCS1 P62166 1/20 1.00
▸ SMN1; SMN2 Q16637 3/20 0.67
▸ NFKB1 P19838 2/20 0.67
▸ NFKB2 Q00653 2/20 0.67
▸ RELA Q04206 2/20 0.67
▸ POLB P06746 1/20 0.67
▸ ALDH1A1 P00352 3/20 0.61
▸ ACP1 P24666 2/20 0.61
▸ PTPN7 P35236 1/20 0.60
▸ PTPN12 Q05209 1/20 0.60
▸ PTPN13 Q12923 1/20 0.60
▸ SSU72 Q9NP77 1/20 0.60
▸ NPC1 O15118 3/20 0.59
▸ RAB9A P51151 3/20 0.59
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ MAPK1 P28482 4/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ HTT P42858 1/20 0.59

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
SCHEMBL17287822 0.86 CSNK1D (0.75) CSNK1DNCS1SMN1; SMN2NFKB1NFKB2
SCHEMBL27371534 0.82 CSNK1D (0.70) CSNK1DNCS1SMN1; SMN2NFKB1NFKB2
SCHEMBL13949524 0.80 CSNK1D (1.00) CSNK1DNCS1SMN1; SMN2NFKB1NFKB2
SCHEMBL11585824 0.80 CSNK1D (1.00) CSNK1DNCS1SMN1; SMN2NFKB1NFKB2
SCHEMBL30050826 0.80 CSNK1D (1.00) CSNK1DNCS1SMN1; SMN2NFKB1NFKB2
SCHEMBL7933388 0.80 HDAC3 (0.71) CSNK1DNCS1SMN1; SMN2NFKB1NFKB2
Ethylene SCHEMBL8167289 0.80 CSNK1D (0.69) CSNK1DNCS1SMN1; SMN2NFKB1NFKB2
SCHEMBL6206186 0.80 RAB9A (0.72) CSNK1DNCS1SMN1; SMN2NFKB1NFKB2
SCHEMBL4858014 0.80 CSNK1D (0.69) CSNK1DNCS1SMN1; SMN2NFKB1NFKB2
SCHEMBL29282910 0.80 DYRK1A (0.69) CSNK1DNCS1SMN1; SMN2NFKB1NFKB2

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-20150352082-A1 SUBSTITUTED BENZOTHIAZOLES AND THERAPEUTIC USES THEREOF FOR THE TREATMENT OF HUMAN DISEASES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2015-12-10 — — US claimed
EP-2949651-A1 SUBSTITUTED BENZOTHIAZOLES AND THERAPEUTIC USES THEREOF FOR THE TREATMENT OF HUMAN DISEASES Consejo Superior De Investigaciones Científicas (CSIC) (ES) 2015-12-02 — — EP claimed
EP-3348550-A1 SUBSTITUTED BENZOTHIAZOLES AND THERAPEUTIC USES THEREOF FOR THE TREATMENT OF HUMAN DISEASES Consejo Superior de Investigaciones Cientificas (CSIC) (ES) 2018-07-18 — — EP disclosed
US-9592224-B2 Substituted benzothiazoles and therapeutic uses thereof for the treatment of human diseases DONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2017-03-14 — — US disclosed
US-20150352082-A1 SUBSTITUTED BENZOTHIAZOLES AND THERAPEUTIC USES THEREOF FOR THE TREATMENT OF HUMAN DISEASES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) 2015-12-10 — — US disclosed
EP-2949651-A1 SUBSTITUTED BENZOTHIAZOLES AND THERAPEUTIC USES THEREOF FOR THE TREATMENT OF HUMAN DISEASES Consejo Superior De Investigaciones Científicas (CSIC) (ES) 2015-12-02 — — 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-20150352082-A1 SUBSTITUTED BENZOTHIAZOLES AND THERAPEUTIC USES THEREOF FOR THE TREATMENT OF HUMAN DISEASES CSNK1A1, CRY1, CSNK1G1 CSNK1D 13/4885NCS1 114/4885SMN1; SMN2 1518/4885

“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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