SCHEMBL15865693

SCHEMBL15865693

CCCN(C(=O)[C@@H](N=[N+]=[N-])C(C)CC)[C@H](C[C@@H](OCOC)c1nc(C(=O)OCC)cs1)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.35
NPC1 O15118 2/20 0.32
MAPT P10636 2/20 0.32
RAB9A P51151 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL15865694 0.91
SCHEMBL25826798 0.88 ABCB1 (0.34) ABCB1NPC1MAPTRAB9ACYP1A2
SCHEMBL24140963 0.88 ABCB1 (0.34) ABCB1NPC1MAPTRAB9ACYP1A2
SCHEMBL14023067 0.88 ABCB1 (0.37) ABCB1NPC1MAPTRAB9ACYP1A2
SCHEMBL14023845 0.88 ABCB1 (0.37) ABCB1NPC1MAPTRAB9ACYP1A2
SCHEMBL15478873 0.88 ABCB1 (0.37) ABCB1NPC1MAPTRAB9ACYP1A2
SCHEMBL15381958 0.84 ABCB1 (0.38) ABCB1NPC1MAPTRAB9ACYP1A2
SCHEMBL17728769 0.82 ABCB1 (0.31) ABCB1
SCHEMBL30360070 0.82 ABCB1 (0.35) ABCB1
SCHEMBL24140468 0.82 ABCB1 (0.35) ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499152-B1 TUBULIN INHIBITORS TUBE PHARMACEUTICALS GMBH (AT) 2016-06-29 EP disclosed
EP-2499153-B1 Tubulin inhibitors TUBE PHARMACEUTICALS GMBH (AT) 2016-03-23 EP disclosed
US-9163060-B2 Tubulin inhibitors R&D BIOPHARMACEUTICALS GMBH (DE) 2015-10-20 US disclosed
US-9163060-B2 Tubulin inhibitors R&D BIOPHARMACEUTICALS GMBH (DE) 2015-10-20 US disclosed
US-8772244-B2 Tubulin inhibitors R&D BIOPHARMACEUTICALS GMBH (DE) 2014-07-08 US disclosed
US-8772244-B2 Tubulin inhibitors R&D BIOPHARMACEUTICALS GMBH (DE) 2014-07-08 US disclosed
US-20120252739-A1 Tubulin Inhibitors R&D BIOPHARMACEUTICALS GMBH (DE) 2012-10-04 US disclosed
US-20120252738-A1 Tubulin Inhibitors R & D BIOPHARMACEUTICALS GMBH (DE) 2012-10-04 US disclosed
US-20120252739-A1 Tubulin Inhibitors R&D BIOPHARMACEUTICALS GMBH (DE) 2012-10-04 US disclosed
US-20120252738-A1 Tubulin Inhibitors R & D BIOPHARMACEUTICALS GMBH (DE) 2012-10-04 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-20120252738-A1 Tubulin Inhibitors TUBB1, TUBB, TUBA1C ABCB1 344/4885NPC1 644/4885MAPT 30/4885
US-20120252739-A1 Tubulin Inhibitors TUBB1, TUBB, TUBA1C ABCB1 344/4885NPC1 644/4885MAPT 30/4885

“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.