SCHEMBL2839422

SCHEMBL2839422

CCN1CCc2ccsc2C(Oc2cccc3ccccc23)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
SIGMAR1 Q99720 3/20 0.39
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TMEM97 Q5BJF2 2/20 0.35
HRH3 Q9Y5N1 4/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL2845609 0.85 MEN1 (0.41) MEN1KMT2ASIGMAR1TSHRL3MBTL1
SCHEMBL2837042 0.84 SIGMAR1 (0.36) KMT2ASIGMAR1TSHRHCRTR1HCRTR2
SCHEMBL2839725 0.83 HRH3 (0.38) MEN1KMT2ASIGMAR1TSHRL3MBTL1
SCHEMBL2840583 0.83 IMPDH2 (0.38) HCRTR1HCRTR2CYP3A4
SCHEMBL2838274 0.81 SIGMAR1 (0.34) SIGMAR1HRH3
SCHEMBL2835227 0.78 SLC6A2 (0.42) MEN1KMT2ATSHRL3MBTL1
Hydrochloric Acid SCHEMBL2844399 0.78 MEN1 (0.39) MEN1KMT2ASIGMAR1TSHRL3MBTL1
Hydrochloric Acid SCHEMBL2839196 0.77 MEN1 (0.36) MEN1KMT2ASIGMAR1TSHRL3MBTL1
Hydrochloric Acid SCHEMBL2840985 0.77 MEN1 (0.42) MEN1KMT2ATSHRL3MBTL1
Hydrochloric Acid SCHEMBL2837889 0.77 MEN1 (0.35) MEN1KMT2ATSHRL3MBTL1

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 1371/4885SIGMAR1 25/4885

“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.