SCHEMBL6826115

SCHEMBL6826115

COc1c(-c2ccccc2)[nH]c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 12/20 0.57
TUBB P07437 12/20 0.57
TUBA3C P0DPH7 12/20 0.57
TUBA1B P68363 12/20 0.57
TUBA4A P68366 12/20 0.57
TUBB4B P68371 12/20 0.57
TUBB3 Q13509 12/20 0.57
TUBB2A Q13885 12/20 0.57
TUBB8 Q3ZCM7 12/20 0.57
TUBA3E Q6PEY2 12/20 0.57
TUBA1A Q71U36 12/20 0.57
TUBA1C Q9BQE3 12/20 0.57
TUBB6 Q9BUF5 12/20 0.57
TUBB2B Q9BVA1 12/20 0.57
TUBB1 Q9H4B7 12/20 0.57
ESR1 P03372 2/20 0.55
ESR2 Q92731 2/20 0.55
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49

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
SCHEMBL12466150 0.80 ESR1 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31744823 0.80 TUBB4A (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28461532 0.79 ESR1 (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL12778109 0.78 ALDH1A1 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL6995871 0.78 TUBB4A (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11790792 0.78 ESR1 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10648743 0.78 MAPT (0.59) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10647311 0.78 KMT2A (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL670200 0.76 AHR (0.57) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4208427 0.76 KDM4E (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106957254-B A kind of 3- alkoxyalkyl indole derivatives and its preparation method and application 郑州大学 2019-11-15 CN disclosed
CN-106957254-A A kind of 3 alkoxyalkyl indole derivativeses and its preparation method and application 郑州大学 2017-07-18 CN disclosed
US-9604974-B2 Compounds as modulator of JAK-STAT pathway, methods and applications thereof UNIVERSITY OF MYSORE (IN) 2017-03-28 US disclosed
US-20160214968-A1 COMPOUNDS AS MODULATOR OF JAK-STAT PATHWAY, METHODS AND APPLICATIONS THEREOF NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-07-28 US disclosed
CN-102036972-A Treatment of duchenne muscular dystrophy SUMMIT CORP PLC 2011-04-27 CN disclosed
WO-2004099139-A1 INDOLE-CONTAINING COMPOUNDS WITH ANTI-TUBULIN AND VASCULAR TARGETING ACTIVITY BAYLOR UNIVERSITY (US) 2004-11-18 WO disclosed
WO-2002081444-A1 1-INDOLYL DERIVATIVES, USE THEREOF FOR PRODUCTION OF MEDICAMENTS, A METHOD FOR PRODUCTION OF SAID 1-INDOLYL DERIVATIVES AND PHARMACEUTICAL PREPARATIONS CONTAINING 1-INDOLYL DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 2002-10-17 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-20160214968-A1 COMPOUNDS AS MODULATOR OF JAK-STAT PATHWAY, METHODS AND APPLICATIONS THEREOF STAT3, STAT1, JAK2 TUBB4A 1979/4885TUBB 1673/4885TUBA3C 2742/4885

“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.