SCHEMBL948758

SCHEMBL948758

c1cc(-c2cnc3n2CCCCC3)ccn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.70
HTT P42858 5/20 0.70
ALDH1A1 P00352 5/20 0.70
LMNA P02545 3/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
MAPT P10636 2/20 0.70
MAPK1 P28482 2/20 0.70
KDM4E B2RXH2 1/20 0.70
MEN1 O00255 1/20 0.70
NPC1 O15118 1/20 0.70
KMT2A Q03164 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
AR P10275 1/20 0.60
RAB9A P51151 1/20 0.60
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43

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
SCHEMBL27300516 0.93 AR (0.69) HPGDHTTALDH1A1LMNASMN1; SMN2
SCHEMBL4783422 0.85 HPGD (0.94) HPGDHTTALDH1A1LMNASMN1; SMN2
SCHEMBL4785098 0.85 HPGD (0.94) HPGDHTTALDH1A1LMNASMN1; SMN2
SCHEMBL4783720 0.83 HPGD (0.91) HPGDHTTALDH1A1LMNASMN1; SMN2
SCHEMBL4779855 0.83 SMN1; SMN2 (1.00) HPGDHTTALDH1A1LMNASMN1; SMN2
SCHEMBL4784543 0.83 SMN1; SMN2 (1.00) HPGDHTTALDH1A1LMNASMN1; SMN2
SCHEMBL4783580 0.81 SMN1; SMN2 (0.97) HPGDHTTALDH1A1LMNASMN1; SMN2
SCHEMBL27325310 0.76 ALDH1A1 (0.60) HPGDHTTALDH1A1LMNASMN1; SMN2
SCHEMBL24370316 0.76 LMNA (0.68) HPGDHTTALDH1A1LMNASMN1; SMN2
SCHEMBL14863160 0.75 RAB9A (1.00) HPGDHTTALDH1A1LMNASMN1; SMN2

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-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 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 (2 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 HPGD 356/4885HTT 1774/4885ALDH1A1 2246/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 HPGD 248/4885HTT 2246/4885ALDH1A1 2316/4885

“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.