SCHEMBL1406150

SCHEMBL1406150

Cc1ccc2[nH]c(C)c(Sc3ccc(Cl)cc3)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.59
TUBB4A P04350 3/20 0.56
TUBB P07437 3/20 0.56
TUBA3C P0DPH7 3/20 0.56
TUBA1B P68363 3/20 0.56
TUBA4A P68366 3/20 0.56
TUBB4B P68371 3/20 0.56
TUBB3 Q13509 3/20 0.56
TUBB2A Q13885 3/20 0.56
TUBB8 Q3ZCM7 3/20 0.56
TUBA3E Q6PEY2 3/20 0.56
TUBA1A Q71U36 3/20 0.56
TUBA1C Q9BQE3 3/20 0.56
TUBB6 Q9BUF5 3/20 0.56
TUBB2B Q9BVA1 3/20 0.56
TUBB1 Q9H4B7 3/20 0.56
CYP2C9 P11712 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
ENPP2 Q13822 1/20 0.44
MAPT P10636 1/20 0.43

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
SCHEMBL5354957 0.85 PTGS2 (0.58) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL27605864 0.85 IDO1 (0.50) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5362568 0.82 SMN1; SMN2 (0.48) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5349617 0.82 PTGS2 (0.62) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL3006431 0.82 IDO1 (0.53) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1406276 0.81 IDO1 (0.52) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16240117 0.81 MAPT (0.53) MAPT
SCHEMBL1406147 0.81 ENPP2 (0.62) IDO1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16240084 0.78 TUBB4A (0.67) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6529434 0.77 IDO1 (0.47) IDO1TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513812-B1 SUBSTITUTED INDOLES ASTRAZENECA AB (SE) 2011-03-09 EP disclosed
US-20100197756-A1 Indole-3-Sulphur Derivatives ASTRAZENECA AB (SE) 2010-08-05 US disclosed
US-7723373-B2 Indole-3-sulphur derivatives ASTRAZENECA AB (SE) 2010-05-25 US disclosed
EP-1551802-B1 INDOLE-3-SULPHUR DERIVATIVES ASTRAZENECA AB (SE) 2009-12-02 EP disclosed
CN-100404505-C Novel substituted indoles ASTRAZENECA AB (SE) 2008-07-23 CN disclosed
US-7166607-B2 Substituted indoles ASTRAZENECA AB (SE) 2007-01-23 US disclosed
US-20060111426-A1 Indole-3-sulphur derivaties ASTRAZENECA AB (SE) 2006-05-25 US disclosed
CN-1671659-A Novel substituted indoles ASTRAZENECA AB (SE) 2005-09-21 CN disclosed
US-20050165055-A1 Novel substituted indoles ASTRAZENECA AB (SE) 2005-07-28 US disclosed
EP-1513812-A1 SUBSTITUTED INDOLES AstraZeneca AB (SE) 2005-03-16 EP disclosed
WO-2003101961-A1 NOVEL SUBSTITUTED INDOLES ASTRAZENECA AB (SE) 2003-12-11 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 (3 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-20050165055-A1 Novel substituted indoles IDO1, IDO2, TPH1 IDO1 1/4885TUBB4A 1248/4885TUBB 910/4885
US-20100197756-A1 Indole-3-Sulphur Derivatives IDO1, IDO2, INMT IDO1 1/4885TUBB4A 1833/4885TUBB 1182/4885
US-20060111426-A1 Indole-3-sulphur derivaties IDO1, IDO2, INMT IDO1 1/4885TUBB4A 2511/4885TUBB 2031/4885

“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.