SCHEMBL3113751

SCHEMBL3113751

COCCNC(=O)c1nnn(-c2ccc(C(=O)NCC(F)(F)F)cc2)c1CCCCCF

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
HDAC4 P56524 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
DGAT2 Q96PD7 1/20 0.37
LOXL2 Q9Y4K0 3/20 0.36
KDM4E B2RXH2 2/20 0.35
TP53 P04637 1/20 0.35
NPC1 O15118 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
SCHEMBL5244292 0.92 HPGD (0.39) HPGDALDH1A1HTTLMNAL3MBTL1
SCHEMBL3118432 0.91 L3MBTL1 (0.43) HPGDALDH1A1HTTLMNAL3MBTL1
SCHEMBL5246507 0.91 ALDH1A1 (0.34) HPGDALDH1A1HTTLMNAL3MBTL1
SCHEMBL5247123 0.91 NPC1 (0.45) HPGDALDH1A1HTTLMNAMEN1
SCHEMBL5247428 0.91 HPGD (0.44) HPGDALDH1A1HTTLMNAL3MBTL1
SCHEMBL5246279 0.90 RAB9A (0.40) HPGDALDH1A1HTTLMNAL3MBTL1
SCHEMBL3106801 0.90 HDAC4 (0.35) HPGDALDH1A1HTTLMNAHDAC4
SCHEMBL5245108 0.90 NPC1 (0.37) HPGDALDH1A1HTTLMNAL3MBTL1
Hydrochloric Acid SCHEMBL3117680 0.89 MEN1 (0.37) HPGDALDH1A1HTTLMNAL3MBTL1
SCHEMBL5249369 0.89 MLYCD (0.36) HPGDALDH1A1HTTLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 US disclosed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 EP disclosed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 EP 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-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 HPGD 800/4885ALDH1A1 3580/4885HTT 969/4885

“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.