SCHEMBL6799690

SCHEMBL6799690

N#C[CH]Cc1sccc1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK8 P45983 11/20 0.41
PTK2 Q05397 1/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 1/20 0.38
MAPK10 P53779 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4668673 0.74 ALDH1A1 (0.44) ALDH1A1MAPTMEN1MAPK1KMT2A
SCHEMBL15468336 0.72 ALDH1A1 (0.53) ALDH1A1MAPTMEN1MAPK1KMT2A
SCHEMBL8551215 0.71 ALDH1A1 (0.48) ALDH1A1MAPTMEN1MAPK1KMT2A
SCHEMBL2921307 0.70 KDM4E (0.41) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL3641807 0.69 MEN1 (0.50) ALDH1A1MAPTMEN1MAPK1KMT2A
SCHEMBL3250677 0.68 ALDH1A1 (0.59) ALDH1A1MAPTMEN1MAPK1KMT2A
SCHEMBL27213298 0.67 MAPT (0.47) ALDH1A1MAPTMEN1MAPK1KMT2A
SCHEMBL31689136 0.67 MAPK8 (0.55) ALDH1A1MAPTMEN1MAPK1KMT2A
SCHEMBL5067843 0.67
SCHEMBL3769465 0.66 AURKA (0.35) ALDH1A1MAPTMEN1KMT2AMAPK8

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
US-6730671-B2 ENZYME INHIBITOR TREATING AUTOIMMUNE DISEASES, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-05-04 US disclosed
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-21 US disclosed
US-6608057-B2 Compounds useful as reversible inhibitors of cathepsin S BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-08-19 US disclosed
US-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CYWIN CHARLES L (US) 2002-07-11 US disclosed
US-6395897-B1 DRUGS FOR ENZYME INHIBITORS ANTICOAGULANTS AND TREATMENT OF AUTOIMMUNE DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-05-28 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-20020091259-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV ALDH1A1 1591/4885MAPT 4319/4885MEN1 2882/4885
US-20030158406-A1 Compounds useful as reversible inhibitors of cathepsin S CTSS, CTSB, CTSV ALDH1A1 1591/4885MAPT 4319/4885MEN1 2882/4885

“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.