SCHEMBL3217867

SCHEMBL3217867

NC(CCc1ccccc1)C(=O)NCCc1c[nH]cn1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.42
CTSB P07858 1/20 0.42
CTSH P09668 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
MMP8 P22894 1/20 0.41
METAP2 P50579 1/20 0.40
ROCK2 O75116 2/20 0.40
ROCK1 Q13464 2/20 0.40
POLB P06746 1/20 0.40
ANPEP P15144 1/20 0.39
ERAP2 Q6P179 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39

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
SCHEMBL7622435 1.00 CTSC (0.42) CTSCCTSBCTSHCTSSCTSK
SCHEMBL7643594 0.89 KMT2A (0.45)
SCHEMBL7643596 0.89 KMT2A (0.45)
SCHEMBL7645866 0.89 KMT2A (0.45)
Bromide SCHEMBL9551371 0.88 KMT2A (0.44)
SCHEMBL23573011 0.87 NLN (0.47)
SCHEMBL21794913 0.87 NLN (0.47)
SCHEMBL13073718 0.87 NLN (0.47)
SCHEMBL7620445 0.84 SLC1A1 (0.42) CTSSANPEP
SCHEMBL7620455 0.84 SLC1A1 (0.42) CTSSANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
WO-2006022955-A2 TOPOISOMERASE INHIBITORS PROPHARMACON, INC. (US) 2006-03-02 WO disclosed
US-6448282-B1 H3 HISTAMINE RECEPTOR ANTAGONIST ACTIVITY; ALLERGY, INFLAMMATION, CARDIOVASCULAR DISEASE, DEPRESSION, SCHIZOPHRENIA, NARCOLEPSY, SLEEP APNEA, INSOMNIA, EPILEPSY, HYPOTHALAMIC DYSFUNCTION GLIATECH, INC. 2002-09-10 US disclosed
US-6166060-A 1H-4(5)-substituted imidazole derivatives GLIATECH, INC. (US) 2000-12-26 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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B CTSC 1814/4885CTSB 1968/4885CTSH 3192/4885

“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.