SCHEMBL4875728

SCHEMBL4875728

Clc1ccc(-n2c(CN3CCc4n[nH]cc4C3)nnc2Cn2nccn2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.35
HSD17B10 Q99714 1/20 0.34
TRPV1 Q8NER1 1/20 0.33
LMNA P02545 3/20 0.32
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
CLPP Q16740 2/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL4885735 0.82
SCHEMBL4881580 0.77 HSD17B10 (0.35) HSP90AB1HSD17B10TRPV1LMNAMAPT
SCHEMBL4882883 0.73 USP2 (0.33) HSP90AB1HSD17B10LMNAMAPTHTT
SCHEMBL15319631 0.69 MEN1 (0.56) MAPTCLPP
SCHEMBL4619486 0.67 PDK2 (0.32) MAPT
SCHEMBL4619490 0.67 TRPA1 (0.39) HSD17B10TRPV1LMNAMAPTHTT
SCHEMBL4624366 0.67 TRPA1 (0.34) HSD17B10MAPTNPSR1SMN1; SMN2CYP1A2
SCHEMBL28758727 0.67 TLR8 (0.36) HSD17B10LMNAMAPTHTTNPSR1
SCHEMBL4622389 0.66 TRPA1 (0.38) HSD17B10MAPTNPSR1SMN1; SMN2CYP1A2
SCHEMBL4882039 0.66 USP2 (0.33) HSP90AB1HSD17B10MAPTCYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US 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-20080234252-A1 Compounds Useful in Therapy AVPR1A, AVPR1B, AVPR2 HSP90AB1 2905/4885HSD17B10 1110/4885TRPV1 124/4885

“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.