SCHEMBL3579002

SCHEMBL3579002

CN1Cc2ccsc2C(Oc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
HRH3 Q9Y5N1 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.35
MCHR1 Q99705 1/20 0.35
CTSC P53634 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MC4R P32245 1/20 0.35
DRD2 P14416 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
LTA4H P09960 1/20 0.34
MGLL Q99685 1/20 0.34
ABHD6 Q9BV23 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 SCHEMBL2840961 0.84 SLC6A2 (0.39) SLC6A4SLC6A2SLC6A3HRH3KMT2A
SCHEMBL2839552 0.83 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3HRH3MEN1
SCHEMBL10954592 0.80 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3HRH3MEN1
SCHEMBL2841093 0.80 SLC6A2 (0.43) SLC6A4SLC6A2SLC6A3HRH3DRD2
SCHEMBL2841122 0.78 SLC6A2 (0.41) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL2843973 0.76 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3HRH3MEN1
Hydrochloric Acid SCHEMBL2844211 0.74 SLC6A2 (0.40) SLC6A4SLC6A2SLC6A3
Maleic Acid SCHEMBL10956066 0.72 LMNA (0.41) SLC6A4SLC6A2SLC6A3HRH3MEN1
Fumaric Acid SCHEMBL10956074 0.72 LMNA (0.41) SLC6A4SLC6A2SLC6A3HRH3MEN1
Hydrochloric Acid SCHEMBL3575325 0.72 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3HRH3MEN1

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 2 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

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 SLC6A4 185/4885SLC6A2 196/4885SLC6A3 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.