SCHEMBL5787192

SCHEMBL5787192

Cc1cc(C)cc(-c2cc3ncnc(Cl)c3s2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
KMT2A Q03164 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
IKBKB O14920 1/20 0.42
MAP3K8 P41279 4/20 0.41
TYK2 P29597 1/20 0.41
EGFR P00533 5/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41

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
SCHEMBL17268775 0.86 NPC1 (0.72) NPC1RAB9AKMT2ATDP1IKBKB
SCHEMBL5788555 0.81 MAP3K8 (0.44) NPC1RAB9AKMT2ATDP1IKBKB
SCHEMBL5475238 0.79 NPC1 (0.58) NPC1RAB9AKMT2ATDP1IKBKB
SCHEMBL2879120 0.79 NPC1 (0.67) NPC1RAB9AKMT2ATDP1IKBKB
SCHEMBL3979017 0.79 NPC1 (0.67) NPC1RAB9AKMT2ATDP1IKBKB
SCHEMBL5789265 0.77 TYK2 (0.51) NPC1RAB9AIKBKBTYK2EGFR
SCHEMBL15504606 0.76 RAB9A (0.68) NPC1RAB9AKMT2ATDP1IKBKB
SCHEMBL15703517 0.76 NPC1 (1.00) NPC1RAB9AKMT2ATDP1IKBKB
SCHEMBL4798991 0.75 KMT2A (0.50) NPC1RAB9AKMT2ATDP1IKBKB
SCHEMBL5641499 0.75 NPC1 (0.58) NPC1RAB9AKMT2ATDP1IKBKB

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-20060276489-A1 Inhibitors of Tubulin Polymerization RIGEL PHARMACEUTICALS, INC. (US) 2006-12-07 US disclosed
US-7071190-B2 Inhibitors to tubulin polymerization RIGEL PHARMACEUTICALS, INC. (US) 2006-07-04 US disclosed
EP-1480645-A4 INHIBITORS OF TUBULIN POLYMERIZATION RIGEL PHARMACEUTICALS INC (US) 2006-03-29 EP disclosed
EP-1480645-A1 INHIBITORS OF TUBULIN POLYMERIZATION Rigel Pharmaceuticals, Inc. (US) 2004-12-01 EP disclosed
US-20030225112-A1 Inhibitors to tubulin polymerization RIGEL PHARMACEUTICALS, INC. 2003-12-04 US disclosed
WO-2003070241-A1 INHIBITORS OF TUBULIN POLYMERIZATION RIGEL PHARMACEUTICALS, INC. (US) 2003-08-28 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 (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-20030225112-A1 Inhibitors to tubulin polymerization TUBB3, TUBB1, TUBB NPC1 687/4885RAB9A 1690/4885KMT2A 1795/4885
US-20060276489-A1 Inhibitors of Tubulin Polymerization TUBB3, TUBB1, TUBB NPC1 725/4885RAB9A 1778/4885KMT2A 1791/4885

“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.