SCHEMBL12718089

SCHEMBL12718089

O=C(NCc1ccccn1)c1cc(N2CCN(Cc3ccc(F)cc3)C2=O)n[nH]1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 9/20 0.63
▸ HDAC1 Q13547 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ GFER P55789 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ GLA P06280 1/20 0.43
▸ RAB9A P51151 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL1576883 0.88 SCD (0.60) SCDHDAC1MAPTRAB9ATSHR
SCHEMBL1577165 0.86 SCD (0.51) SCDHDAC1KDM4EMAPTRAB9A
SCHEMBL12717202 0.85 SCD (0.46) SCDHDAC1KDM4EALDH1A1RAB9A
SCHEMBL14480119 0.84 SCD (0.62) SCDHDAC1KDM4EMAPTGFER
SCHEMBL12648807 0.84 SCD (0.68) SCDHDAC1KDM4EMAPTGFER
SCHEMBL12717208 0.84 SCD (0.49) SCDHDAC1KDM4EMAPTRAB9A
Hydrochloric Acid SCHEMBL1568728 0.83 SCD (0.67) SCDHDAC1KDM4EMAPTGFER
SCHEMBL12717859 0.81 SCD (0.47) SCDHDAC1KDM4EMAPTRAB9A
SCHEMBL1767478 0.81 SCD (0.63) SCDKDM4EMAPTALDH1A1RAB9A
SCHEMBL14480121 0.79 SCD (0.62) SCDALDH1A1TP53MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130011361-A1 PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2013-01-10 — — US claimed
US-20130011361-A1 PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2013-01-10 — — US disclosed
US-20130011361-A1 PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2013-01-10 — — US disclosed
US-20130011361-A1 PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE XENON PHARMACEUTICALS INC. (CA) 2013-01-10 — — US disclosed
WO-2011039358-A1 PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE NOVARTIS AG (CH) 2011-04-07 — — WO 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-20130011361-A1 PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE SCD, SCD5, FADS2 SCD 1/4885HDAC1 117/4885KDM4E 997/4885

“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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