SCHEMBL2845541

SCHEMBL2845541

CCN1Cc2cc(C)sc2C(Oc2cccc3ccccc23)C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HRH3 Q9Y5N1 8/20 0.33
HTR2A P28223 2/20 0.33
HTR7 P34969 2/20 0.33
HTR6 P50406 2/20 0.33
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32

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
SCHEMBL2834942 0.85 SLC6A2 (0.38) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL2844273 0.84 ALDH1A1 (0.31) KMT2A
SCHEMBL2835927 0.83 IMPDH2 (0.38)
Hydrochloric Acid SCHEMBL2837924 0.82 KMT2A (0.36) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL2841599 0.81 SLC6A4 (0.32) SLC6A4
SCHEMBL2840841 0.79 MEN1 (0.37) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL2846176 0.76 MEN1 (0.38) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL2839592 0.75 SLC6A2 (0.34) MEN1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL2839422 0.74 MEN1 (0.39) MEN1KMT2ATSHRL3MBTL1HRH3
SCHEMBL2838043 0.73 SLC6A2 (0.35) MEN1KMT2ASLC6A2SLC6A4SLC6A3

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 1371/4885SLC6A2 196/4885

“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.