SCHEMBL12589455

SCHEMBL12589455

Cn1nc(-c2ccc(C(=O)N3CCC(OO)(c4ccccc4)CC3)s2)cc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.52
▸ SCD5 Q86SK9 2/20 0.43
▸ GAA P10253 4/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RAB9A P51151 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ PTGES2 Q9H7Z7 1/20 0.38
▸ KDM4E B2RXH2 5/20 0.37
▸ HPGD P15428 3/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 4/20 0.37
▸ MAPT P10636 2/20 0.37
▸ PKM P14618 1/20 0.37
▸ P2RY14 Q15391 1/20 0.36
▸ HSD17B10 Q99714 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ HRH3 Q9Y5N1 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
SCHEMBL1593679 0.88 ALDH1A1 (0.54) ALDH1A1SCD5GAAL3MBTL1POLB
SCHEMBL1595349 0.83 ALDH1A1 (0.60) ALDH1A1GAAL3MBTL1POLBRAB9A
SCHEMBL1594739 0.83 ALDH1A1 (0.68) ALDH1A1GAAL3MBTL1POLBRAB9A
SCHEMBL1595135 0.82 ALDH1A1 (0.56) ALDH1A1GAAL3MBTL1POLBRAB9A
SCHEMBL1594300 0.82 ALDH1A1 (0.58) ALDH1A1GAAL3MBTL1POLBRAB9A
SCHEMBL14953537 0.81 ALDH1A1 (0.63) ALDH1A1GAAL3MBTL1POLBRAB9A
SCHEMBL1594515 0.81 ALDH1A1 (0.65) ALDH1A1GAAL3MBTL1POLBRAB9A
SCHEMBL1593690 0.81 ALDH1A1 (0.65) ALDH1A1GAAL3MBTL1POLBRAB9A
SCHEMBL2057993 0.81 ALDH1A1 (0.57) ALDH1A1SCD5GAAL3MBTL1POLB
SCHEMBL9966136 0.80 ALDH1A1 (0.54) ALDH1A1GAAL3MBTL1POLBRAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399487-B2 Pyrazole compounds and uses thereof DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2013-03-19 — — US disclosed
US-8399487-B2 Pyrazole compounds and uses thereof DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2013-03-19 — — US disclosed
US-20110160248-A1 PYRAZOLE COMPOUNDS AND USES THEREOF DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-06-30 — — US disclosed
US-20110160248-A1 PYRAZOLE COMPOUNDS AND USES THEREOF DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-06-30 — — 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-20110160248-A1 PYRAZOLE COMPOUNDS AND USES THEREOF MAOB, MAOA, HTR1B ALDH1A1 602/4885SCD5 4150/4885GAA 400/4885

“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.

Send feedback