SCHEMBL12717208

SCHEMBL12717208

Cc1cc(CNC(=O)c2cc(N3CCN(Cc4ccc(F)cc4)C3=O)n[nH]2)no1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 9/20 0.49
▸ HDAC1 Q13547 2/20 0.43
▸ RAB9A P51151 1/20 0.41
▸ TP53 P04637 2/20 0.41
▸ TSHR P16473 2/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ THRB P10828 1/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38

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
SCHEMBL1577165 0.89 SCD (0.51) SCDHDAC1RAB9ATP53TSHR
SCHEMBL1576883 0.84 SCD (0.60) SCDHDAC1RAB9ATP53TSHR
SCHEMBL12718089 0.84 SCD (0.63) SCDHDAC1RAB9ATP53TSHR
SCHEMBL1568368 0.83 SCD (0.54) SCDHDAC1RAB9ATP53TSHR
SCHEMBL12717859 0.82 SCD (0.47) SCDHDAC1RAB9ATP53TSHR
SCHEMBL1576985 0.81 SCD (0.49) SCDHDAC1TP53NAMPTHDAC3
SCHEMBL12717202 0.81 SCD (0.46) SCDHDAC1RAB9ATP53TSHR
SCHEMBL347725 0.80 SCD (0.75) SCD
SCHEMBL14480119 0.80 SCD (0.62) SCDHDAC1TP53TSHRNAMPT
SCHEMBL1577104 0.78 SCD (0.54) SCDHDAC1RAB9ATP53TSHR

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 117/4885RAB9A 3076/4885

“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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