SCHEMBL899401

SCHEMBL899401

Cc1cc(NCCNC(=O)C=CC(C)C)cc(C)[n+]1[O-]

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
LY96 Q9Y6Y9 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
LMNA P02545 1/20 0.32
PYGL P06737 1/20 0.31
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL899399 1.00 ALDH1A1 (0.33) ALDH1A1LY96SMN1; SMN2MTNR1AMTNR1B
SCHEMBL18570428 0.87 LY96 (0.40) ALDH1A1LY96SMN1; SMN2MTNR1AMTNR1B
SCHEMBL903041 0.85 ALDH1A1 (0.35) ALDH1A1LY96SMN1; SMN2PYGL
SCHEMBL902994 0.85 ALDH1A1 (0.34) ALDH1A1LY96SMN1; SMN2MTNR1AMTNR1B
SCHEMBL898778 0.79 MTNR1A (0.35) ALDH1A1MTNR1AMTNR1BLMNA
SCHEMBL15294862 0.74 LY96 (0.33) ALDH1A1LY96SMN1; SMN2LMNAPYGL
SCHEMBL15294864 0.72 CA12 (0.33) ALDH1A1LY96SMN1; SMN2LMNA
SCHEMBL902926 0.71 ALDH1A1 (0.33) ALDH1A1LY96SMN1; SMN2MTNR1AMTNR1B
SCHEMBL21203114 0.69 LY96 (0.39) ALDH1A1LY96SMN1; SMN2CTSLCTSS
SCHEMBL21203113 0.68 LY96 (0.37) ALDH1A1LY96SMN1; SMN2LMNACTSK

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-2621903-B1 N-HETEROARYL COMPOUNDS INTERVET INT BV (NL) 2017-03-01 EP disclosed
US-8877934-B2 N-heteroaryl compounds INTERVET INC. (US) 2014-11-04 US disclosed
EP-2621903-A1 N-HETEROARYL COMPOUNDS Intervet International B.V. (NL) 2013-08-07 EP disclosed
US-20130196993-A1 N-HETEROARYL COMPOUNDS INTERVET INC. 2013-08-01 US disclosed
WO-2012041873-A1 N-HETEROARYL COMPOUNDS INTERVET INTERNATIONAL B.V. (NL) 2012-04-05 WO 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-20130196993-A1 N-HETEROARYL COMPOUNDS HNMT, SQLE, PIGO ALDH1A1 1345/4885LY96 2451/4885SMN1; SMN2 4016/4885

“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.