SCHEMBL3772350

SCHEMBL3772350

Fc1ccc(-c2csc(C3CCNCC3)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.59
▸ MKNK1 Q9BUB5 1/20 0.52
▸ MKNK2 Q9HBH9 1/20 0.52
▸ RAB9A P51151 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ ALOX5 P09917 1/20 0.49
▸ MAPK11 Q15759 2/20 0.46
▸ MAPK14 Q16539 2/20 0.46
▸ MAPK13 O15264 1/20 0.46
▸ RAF1 P04049 1/20 0.46
▸ MAPK9 P45984 1/20 0.46
▸ MAPK12 P53778 1/20 0.46
▸ ENPP2 Q13822 1/20 0.45
▸ TRPV1 Q8NER1 1/20 0.45
▸ AR P10275 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43

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
SCHEMBL1287152 0.89 RAB9A (0.56) HPGDSRAB9AALDH1A1ALOX5TRPV1
SCHEMBL4262100 0.85 HPGDS (0.59) HPGDSRAB9AALDH1A1KDM4EL3MBTL1
SCHEMBL4259512 0.85 HPGDS (0.59) HPGDSRAB9AALDH1A1ALOX5TRPV1
SCHEMBL4265265 0.85 HPGDS (0.61) HPGDSMKNK1MKNK2RAB9AALDH1A1
SCHEMBL2297392 0.85 HPGDS (0.78) HPGDSRAB9AALDH1A1ARKDM4E
SCHEMBL4258842 0.85 HPGDS (0.55) HPGDSMKNK1MKNK2RAB9AALDH1A1
SCHEMBL4257180 0.85 HPGDS (0.55) HPGDSALDH1A1ALOX5KDM4EL3MBTL1
Bromide SCHEMBL2979882 0.84 HPGDS (0.57) HPGDSRAB9AALDH1A1KDM4EL3MBTL1
Bromide SCHEMBL2983628 0.84 HPGDS (0.57) HPGDSRAB9AALDH1A1KDM4EL3MBTL1
Hydrochloric Acid SCHEMBL1653293 0.84 ALDH1A1 (0.58) HPGDSRAB9AALDH1A1TRPV1KDM4E

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-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 — — US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 — — US disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 — — 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 HPGDS 962/4885MKNK1 4485/4885MKNK2 4628/4885

“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.

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