SCHEMBL14480119

SCHEMBL14480119

O=C(NCc1cccnc1)c1cc(N2CCN(Cc3ccc(F)cc3)C2=O)n[nH]1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 8/20 0.62
▸ HTT P42858 1/20 0.49
▸ HDAC1 Q13547 2/20 0.47
▸ NAMPT P43490 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ TP53 P04637 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ TSHR P16473 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
SCHEMBL1576883 0.90 SCD (0.60) SCDHDAC1TP53MAPTTSHR
SCHEMBL12718089 0.84 SCD (0.63) SCDHDAC1TP53KDM4EALDH1A1
SCHEMBL12717859 0.84 SCD (0.47) SCDHDAC1POLBTP53KDM4E
SCHEMBL1767484 0.83 SCD (0.66) SCDHDAC1NAMPTGAATP53
SCHEMBL1577165 0.82 SCD (0.51) SCDHDAC1POLBTP53KDM4E
SCHEMBL12717202 0.82 SCD (0.46) SCDHDAC1TP53KDM4EALDH1A1
SCHEMBL12717208 0.80 SCD (0.49) SCDHDAC1NAMPTPOLBTP53
SCHEMBL12717805 0.79 SCD (0.62) SCDHTTGAA
SCHEMBL1577104 0.78 SCD (0.54) SCDHDAC1POLBTP53KDM4E
SCHEMBL244519 0.78 SCD (0.78) SCDGAAKDM4EALDH1A1MAPT

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-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

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 1/4885HTT 4462/4885HDAC1 117/4885

“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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