SCHEMBL12059762

SCHEMBL12059762

c1cc2cnsc2cc1OCC1CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.46
SLC6A4 P31645 6/20 0.46
HTR3A P46098 2/20 0.46
KCNH2 Q12809 2/20 0.46
TRPM5 Q9NZQ8 2/20 0.43
SLC6A3 Q01959 3/20 0.43
PARP15 Q460N3 3/20 0.42
PARP10 Q53GL7 3/20 0.42
TRPA1 O75762 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
PRKCZ Q05513 1/20 0.39
CDK1 P06493 1/20 0.38
MAPKAPK2 P49137 1/20 0.38

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
SCHEMBL8965547 0.78 KMT2A (0.50) TRPM5TRPA1
SCHEMBL8966123 0.74 CA12 (0.49) TRPM5TRPA1
SCHEMBL16902875 0.72 SLC6A2 (0.78) SLC6A2SLC6A4HTR3AKCNH2SLC6A3
SCHEMBL20024437 0.72 SLC6A2 (0.78) SLC6A2SLC6A4HTR3AKCNH2SLC6A3
SCHEMBL29024848 0.70 PARP15 (0.64) PARP15PARP10PARP2
SCHEMBL12338079 0.70 TRPM5 (0.54) SLC6A2SLC6A4TRPM5SLC6A3TRPA1
SCHEMBL2488995 0.70 EGFR (0.58) SLC6A2SLC6A4HTR3AKCNH2SLC6A3
SCHEMBL9112701 0.70 TRPA1 (0.49) SLC6A2SLC6A4HTR3AKCNH2SLC6A3
SCHEMBL8476825 0.69 SLC6A2 (0.55) SLC6A2SLC6A4HTR3AKCNH2SLC6A3
SCHEMBL31094204 0.68 SLC6A2 (0.54) SLC6A2SLC6A4HTR3AKCNH2SLC6A3

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-8263619-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-09-11 US disclosed
US-20110319407-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF XIE WENGE (US) 2011-12-29 US disclosed
US-20100105677-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2010-04-29 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 (2 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-20110319407-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 SLC6A2 953/4885SLC6A4 1440/4885HTR3A 352/4885
US-20100105677-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 SLC6A2 950/4885SLC6A4 1422/4885HTR3A 367/4885

“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.