SCHEMBL3105754

SCHEMBL3105754

[CH2]c1c(C(=O)NC2CC2)nnn1-c1ccc(C(=O)NCC)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
RECQL P46063 1/20 0.41
CYP2D6 P10635 1/20 0.41
RIPK1 Q13546 1/20 0.39
HSD11B1 P28845 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK14 Q16539 3/20 0.38
MAPK11 Q15759 1/20 0.38
BRD4 O60885 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
NPC1 O15118 2/20 0.38
TP53 P04637 1/20 0.38
TRPV1 Q8NER1 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
SCHEMBL3105762 0.88 PTGS2 (0.46) RAB9AMAPTCYP1A2CYP2C19HPGD
SCHEMBL3115039 0.86 RAB9A (0.39) RAB9AMAPTCYP1A2CYP2C19HPGD
SCHEMBL3114886 0.86 RAB9A (0.41) RAB9AMAPTCYP1A2CYP2C19HPGD
SCHEMBL3107658 0.86 MAPT (0.41) RAB9AMAPTCYP1A2CYP2C19HPGD
SCHEMBL3116893 0.85 SMYD3 (0.40) RAB9AMAPTCYP1A2CYP2C19HPGD
SCHEMBL3105336 0.85 CYP1A2 (0.41) RAB9AMAPTCYP1A2CYP2C19HPGD
SCHEMBL3112482 0.85 RAB9A (0.40) RAB9AMAPTCYP1A2CYP2C19HPGD
SCHEMBL3115726 0.85 CYP1A2 (0.42) RAB9AMAPTCYP1A2CYP2C19HPGD
SCHEMBL3116282 0.85 RXFP1 (0.44) RAB9AMAPTCYP1A2CYP2C19HPGD
SCHEMBL3103943 0.85 CYP1A2 (0.41) RAB9AMAPTCYP1A2CYP2C19HPGD

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 3 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-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

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 RAB9A 2959/4885MAPT 4724/4885CYP1A2 418/4885

“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.