SCHEMBL5759345

SCHEMBL5759345

[c]1c(OCc2ncccn2)ccc2c1[nH]c1ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.37
PARP1 P09874 2/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALDH1A1 P00352 3/20 0.35
GPR3 P46089 1/20 0.35
GABRP O00591 7/20 0.35
GABRD O14764 7/20 0.35
GABRA1 P14867 7/20 0.35
GABRB1 P18505 7/20 0.35
GABRG2 P18507 7/20 0.35
GABRB3 P28472 7/20 0.35
GABRA5 P31644 7/20 0.35
GABRA3 P34903 7/20 0.35
GABRA2 P47869 7/20 0.35
GABRB2 P47870 7/20 0.35
GABRA4 P48169 7/20 0.35

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
SCHEMBL6239562 0.86 MAOA (0.43) HSD17B10PARP1ALDH1A1GABRA1GABRG2
SCHEMBL5759399 0.82 MEN1 (0.35) HSD17B10PARP1KMT2AMEN1NPC1
SCHEMBL5757920 0.81 SIGMAR1 (0.37) HSD17B10KMT2AMEN1NPC1RAB9A
SCHEMBL5756740 0.81 GABRA1 (0.39) HSD17B10PARP1KMT2AMEN1NPC1
SCHEMBL5759048 0.77 TSHR (0.40) HSD17B10KMT2AMEN1ALDH1A1GPR3
SCHEMBL6897737 0.74 ALDH1A1 (0.45) HSD17B10KMT2AMEN1ALDH1A1GPR3
SCHEMBL328963 0.72 ALDH1A1 (0.41) HSD17B10PARP1KMT2AMEN1NPC1
SCHEMBL11143149 0.70 LRRK2 (0.43) HSD17B10PARP1KMT2AMEN1NPC1
SCHEMBL5757538 0.66 GABRP (0.33) HSD17B10PARP1KMT2AMEN1NPC1
SCHEMBL8743645 0.66 MTOR (0.41) HSD17B10PARP1KMT2AMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1104403-B1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS PFIZER PROD INC (US) 2006-05-10 EP disclosed
US-20050215549-A1 TACE inhibitors MCCLURE KIM F 2005-09-29 US disclosed
EP-1104412-B1 TACE INHIBITORS PFIZER PROD INC (US) 2005-06-15 EP disclosed
US-20030181441-A1 TACE INHIBITORS McCLURE Kim (US) 2003-09-25 US disclosed
US-6329397-B1 TREATMENT OF A CONDITION SELECTED FROM THE GROUP CONSISTING OF ARTHRITIS, CANCER, AND OTHER DISEASES CHARACTERIZED BY MATRIX METALLOPROTEINASE OR MAMMALIAN REPROLYSIN ACTIVITY. PFIZER 2001-12-11 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 (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-20030181441-A1 TACE INHIBITORS ADAMTS5, ADAMTS1, MMP2 HSD17B10 2714/4885PARP1 149/4885KMT2A 2819/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 HSD17B10 2276/4885PARP1 291/4885KMT2A 2682/4885

“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.