SCHEMBL1576883

SCHEMBL1576883

O=C(NCc1ccccc1)c1cc(N2CCN(Cc3ccc(F)cc3)C2=O)n[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 8/20 0.60
▸ TP53 P04637 2/20 0.50
▸ MAPT P10636 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HDAC1 Q13547 3/20 0.47
▸ RAB9A P51151 1/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ NCOR2 Q9Y618 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ PRKAA2 P54646 1/20 0.45

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
SCHEMBL14480119 0.90 SCD (0.62) SCDTP53MAPTHDAC1TSHR
SCHEMBL12718089 0.88 SCD (0.63) SCDTP53MAPTSMN1; SMN2HDAC1
SCHEMBL12717859 0.87 SCD (0.47) SCDTP53MAPTSMN1; SMN2HDAC1
SCHEMBL1577165 0.86 SCD (0.51) SCDTP53MAPTHDAC1RAB9A
SCHEMBL12717208 0.84 SCD (0.49) SCDTP53MAPTHDAC1RAB9A
SCHEMBL12717202 0.84 SCD (0.46) SCDTP53HDAC1RAB9AHDAC3
SCHEMBL1577104 0.82 SCD (0.54) SCDTP53MAPTHDAC1RAB9A
SCHEMBL1568693 0.81 SCD (0.62) SCDTP53MAPTSMN1; SMN2HDAC1
SCHEMBL14480138 0.77 SCD (0.49) SCDMAPTHDAC1HDAC3HDAC4
SCHEMBL1767626 0.77 SCD (0.56) SCDTP53MAPTSMN1; SMN2HDAC1

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 7 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
EP-2483264-A1 PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE Novartis AG (CH) 2012-08-08 — — EP claimed
WO-2011039358-A1 PYRAZOLE DERIVATIVES WHICH MODULATE STEAROYL-COA DESATURASE NOVARTIS AG (CH) 2011-04-07 — — WO 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 1/4885TP53 4736/4885MAPT 4129/4885

“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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