SCHEMBL3116264

SCHEMBL3116264

CCCc1c(C(=O)NCc2ccc3c(c2)OCO3)nnn1-c1ccc(C(=O)NCC)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
MAPT P10636 1/20 0.57
TDP1 Q9NUW8 1/20 0.56
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
POLB P06746 1/20 0.54
HSD17B10 Q99714 2/20 0.53
HSP90AA1 P07900 1/20 0.53
ALDH1A1 P00352 3/20 0.52
NPC1 O15118 1/20 0.52
NPSR1 Q6W5P4 2/20 0.52
TP53 P04637 1/20 0.52
PKM P14618 1/20 0.51

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
SCHEMBL5248482 0.90 MEN1 (0.55) MEN1KMT2AMAPTTDP1HPGD
SCHEMBL13158518 0.89 MAPT (0.61) MEN1KMT2AMAPTTDP1HPGD
SCHEMBL3108441 0.81 CCR1 (0.47) MEN1KMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL3109778 0.79 CCR1 (0.38) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL3110924 0.78 HPGD (0.46) MEN1KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL3116707 0.77 P2RX3 (0.47) MAPTHPGDALDH1A1
SCHEMBL3115976 0.77 CYP1A2 (0.47) MEN1KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL3110541 0.77 MAPK14 (0.47) MEN1KMT2AHPGDPOLBALDH1A1
SCHEMBL3112533 0.76 SMN1; SMN2 (0.44) MEN1KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL5250837 0.76 SMN1; SMN2 (0.54) MEN1KMT2AMAPTTDP1HPGD

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 MEN1 1111/4885KMT2A 2286/4885MAPT 4724/4885

“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.