SCHEMBL2835227

SCHEMBL2835227

CN1Cc2ccsc2C(Oc2cccc3ccccc23)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.42
SLC6A4 P31645 11/20 0.42
SLC6A3 Q01959 9/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2D6 P10635 1/20 0.35
HRH4 Q9H3N8 1/20 0.34

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
Hydrochloric Acid SCHEMBL2840985 0.99 MEN1 (0.42) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL2845609 0.88 MEN1 (0.41) MEN1KMT2ATSHRL3MBTL1HRH4
SCHEMBL2842497 0.83 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3L3MBTL1CYP2D6
Hydrochloric Acid SCHEMBL2844399 0.83 MEN1 (0.39) SLC6A2SLC6A4SLC6A3MEN1KMT2A
Hydrochloric Acid SCHEMBL2841676 0.82 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL2840332 0.81 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL2834942 0.81 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL2841182 0.81 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL2839196 0.80 MEN1 (0.36) SLC6A2SLC6A4SLC6A3MEN1KMT2A
Hydrochloric Acid SCHEMBL2842719 0.79 MEN1 (0.37) SLC6A2SLC6A4SLC6A3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048537-A1 HETEROARYL DERIVATIVES NIPPON SHINYAKU CO., LTD. (JP) 2010-02-25 US claimed
EP-2141168-A1 HETEROARYL DERIVATIVES Nippon Shinyaku Co., Ltd. (JP) 2010-01-06 EP claimed
US-8217031-B2 Heteroaryl derivatives NIPPON SHINYAKU CO., LTD. (JP) 2012-07-10 US disclosed
US-20100048537-A1 HETEROARYL DERIVATIVES NIPPON SHINYAKU CO., LTD. (JP) 2010-02-25 US disclosed
EP-2141168-A1 HETEROARYL DERIVATIVES Nippon Shinyaku Co., Ltd. (JP) 2010-01-06 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-20100048537-A1 HETEROARYL DERIVATIVES OPRD1, OPRM1, OPRK1 SLC6A2 196/4885SLC6A4 185/4885SLC6A3 118/4885

“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.