SCHEMBL6144233

SCHEMBL6144233

O=C1c2ccccc2SCN1CCN1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ DRD2 P14416 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ HRH3 Q9Y5N1 5/20 0.45
▸ MAPT P10636 2/20 0.44
▸ PARP1 P09874 1/20 0.41
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ TERT O14746 1/20 0.40
▸ GRM5 P41594 1/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ AHR P35869 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL9175693 0.79 ELANE (0.35) —
SCHEMBL8980633 0.79 HEXA (0.38) ALDH1A1MAPTPARP1MEN1RAB9A
SCHEMBL31033169 0.78 HRH3 (0.49) ALDH1A1TP53DRD2DRD3HRH3
Hydrochloric Acid SCHEMBL11074171 0.78 KDM1A (0.44) ALDH1A1TP53DRD2DRD3HRH3
SCHEMBL3653396 0.72 HRH3 (0.69) DRD2DRD3HRH3GRM5
SCHEMBL3243125 0.72 ALDH1A1 (0.69) ALDH1A1TP53MAPTTERTMEN1
SCHEMBL29097638 0.72 ALDH1A1 (0.69) ALDH1A1TP53MAPTTERTMEN1
SCHEMBL6143783 0.71 ACHE (0.56) ALDH1A1TP53DRD2DRD3HRH3
SCHEMBL9166362 0.71 MMP2 (0.34) ALDH1A1MAPTRAB9A
SCHEMBL31033159 0.70 KDM4E (0.48) ALDH1A1TP53DRD2DRD3HRH3

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
EP-1534690-A1 2-SUBSTITUTED BICYCLIC BENZOHETEROCYCLIC COMPOUNDS AND THEIR USE AS SODIUM CHANNEL BLOCKERS Euro-Celtique S.A. (LU) 2005-06-01 — — EP disclosed
US-20040152696-A1 2-substituted bicyclic benzoheterocyclic compounds and their use as sodium channel blockers EURO-CELTIQUE S.A. 2004-08-05 — — US disclosed
WO-2004013111-A1 2-SUBSTITUTED BICYCLIC BENZOHETEROCYCLIC COMPOUNDS AND THEIR USE AS SODIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2004-02-12 — — WO 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-20040152696-A1 2-substituted bicyclic benzoheterocyclic compounds and their use as sodium channel blockers CACNA1C, CACNA1D, SCN2B ALDH1A1 803/4885TP53 3877/4885DRD2 1032/4885

“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.

Send feedback