SCHEMBL2845609

SCHEMBL2845609

CN1CCc2ccsc2C(Oc2cccc3ccccc23)C1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DRD2 P14416 3/20 0.39
DRD1 P21728 3/20 0.39
DRD5 P21918 3/20 0.39
DRD3 P35462 3/20 0.39
DRD4 P21917 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
PDE10A Q9Y233 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL2835227 0.88 SLC6A2 (0.42) MEN1KMT2ATSHRL3MBTL1HRH4
Hydrochloric Acid SCHEMBL2840985 0.87 MEN1 (0.42) MEN1KMT2ATSHRL3MBTL1
SCHEMBL2839422 0.85 MEN1 (0.39) MEN1KMT2ATSHRL3MBTL1SIGMAR1
SCHEMBL2840148 0.83 DRD1 (0.41) TSHRDRD2DRD1DRD5DRD3
SCHEMBL2835731 0.82 MEN1 (0.39) MEN1KMT2ATSHRL3MBTL1DRD2
SCHEMBL2841105 0.82 IMPDH2 (0.41) DRD2DRD1DRD5DRD3DRD4
Hydrochloric Acid SCHEMBL2836629 0.81 MEN1 (0.41) MEN1KMT2ATSHRL3MBTL1DRD2
SCHEMBL2841618 0.80 DRD1 (0.35) DRD2DRD1DRD5DRD3DRD4
SCHEMBL2836825 0.79 SLC6A2 (0.35) MEN1KMT2AL3MBTL1HRH4
Hydrochloric Acid SCHEMBL2844399 0.76 MEN1 (0.39) MEN1KMT2ATSHRL3MBTL1SIGMAR1

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-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 MEN1 3895/4885KMT2A 1371/4885TSHR 1940/4885

“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.