SCHEMBL6093237

SCHEMBL6093237

COC(=O)[C@H](Cc1ccncc1)NC(=O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.64
RAB9A P51151 1/20 0.64
ALDH1A1 P00352 3/20 0.63
LMNA P02545 1/20 0.63
GLA P06280 1/20 0.63
CTSL P07711 5/20 0.59
GPR132 Q9UNW8 1/20 0.57
ATM Q13315 1/20 0.54
CTSS P25774 3/20 0.54
CTSK P43235 2/20 0.54
THRB P10828 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP26A1 O43174 1/20 0.53
POLB P06746 1/20 0.52
ACE P12821 1/20 0.52
TACR3 P29371 1/20 0.52
CTSV O60911 1/20 0.52
TSHR P16473 1/20 0.50

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
Hydrochloric Acid SCHEMBL8133315 0.99 GAA (0.62) GAARAB9AALDH1A1LMNAGLA
SCHEMBL2461492 0.90 GAA (0.76) GAARAB9AALDH1A1LMNAGLA
SCHEMBL1793176 0.90 GAA (0.76) GAARAB9AALDH1A1LMNAGLA
SCHEMBL31206887 0.90 GAA (0.76) GAARAB9AALDH1A1LMNAGLA
SCHEMBL16515824 0.86 GAA (0.67) GAARAB9AALDH1A1LMNAGLA
SCHEMBL14733433 0.86 GAA (0.67) GAARAB9AALDH1A1LMNAGLA
SCHEMBL6860349 0.86 ECE1 (0.62) GAARAB9AALDH1A1LMNAGLA
SCHEMBL7894291 0.86 GPR132 (0.60) GAARAB9AALDH1A1LMNAGLA
SCHEMBL13669573 0.85 GAA (0.69) GAARAB9AALDH1A1LMNAGLA
SCHEMBL3928164 0.85 LNPEP (0.67) GAARAB9AALDH1A1LMNAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7005430-B2 Fused purine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-02-28 US disclosed
US-20030176698-A1 Fused purine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-09-18 US disclosed
US-6180611-B1 INHIBITORS OF MATRIX METALLOPROTEINASES AND TUMOR NECROSIS FACTOR DARWIN DISCOVERY, LTD. (GB) 2001-01-30 US disclosed
US-5994312-A Peptidyl compounds DARWIN DISCOVERY, LTD. (GB) 1999-11-30 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-20030176698-A1 Fused purine derivatives PNP, NSUN2, CYP2W1 GAA 3396/4885RAB9A 1751/4885ALDH1A1 2392/4885

“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.