SCHEMBL12309699

SCHEMBL12309699

COc1c(C)cc2[nH]ccc2c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 3/20 0.41
▸ TUBB4A P04350 4/20 0.38
▸ TUBB P07437 4/20 0.38
▸ TUBA3C P0DPH7 4/20 0.38
▸ TUBA1B P68363 4/20 0.38
▸ TUBA4A P68366 4/20 0.38
▸ TUBB4B P68371 4/20 0.38
▸ TUBB3 Q13509 4/20 0.38
▸ TUBB2A Q13885 4/20 0.38
▸ TUBB8 Q3ZCM7 4/20 0.38
▸ TUBA3E Q6PEY2 4/20 0.38
▸ TUBA1A Q71U36 4/20 0.38
▸ TUBA1C Q9BQE3 4/20 0.38
▸ TUBB6 Q9BUF5 4/20 0.38
▸ TUBB2B Q9BVA1 4/20 0.38
▸ TUBB1 Q9H4B7 4/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL19871227 0.78 ALDH1A1 (0.35) BRD4POLBKMT2AKDM4EALDH1A1
SCHEMBL30483746 0.73 RHEB (0.41) BRD4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10291045 0.73 AHR (0.39) POLBKMT2AKDM4EALDH1A1RHEB
SCHEMBL12309702 0.73 ADORA3 (0.41) MEN1POLBKMT2AKDM4EALDH1A1
SCHEMBL6270065 0.73 RHEB (0.41) BRD4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL12786609 0.72 ALDH1A1 (0.53) TUBB1MEN1POLBMAPK1KMT2A
SCHEMBL5567677 0.72 BRD4 (0.53) BRD4TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL23640656 0.69 ALDH1A1 (0.32) POLBKMT2AKDM4EALDH1A1RHEB
SCHEMBL19948493 0.69 AHR (0.39) POLBKMT2AKDM4EALDH1A1RHEB
SCHEMBL1400405 0.69 MTNR1A (0.47) BRD4TUBB4ATUBBTUBA3CTUBA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993616-B2 (aza)indole derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-03-31 — — US disclosed
US-8993616-B2 (aza)indole derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2015-03-31 — — US disclosed
US-8829040-B2 (aza)indole derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-09-09 — — US disclosed
US-8829040-B2 (aza)indole derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-09-09 — — US disclosed
US-20140179932-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 — — US disclosed
US-20140179932-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-06-26 — — US disclosed
US-20130252955-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2013-09-26 — — US disclosed
US-20130252955-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2013-09-26 — — US disclosed
US-8466152-B2 (aza)indole derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2013-06-18 — — US disclosed
US-8466152-B2 (aza)indole derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2013-06-18 — — US disclosed
US-20110230454-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-09-22 — — US disclosed
US-20110230454-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-09-22 — — US disclosed
US-8003647-B2 (Aza)indole derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-08-23 — — US disclosed
US-8003647-B2 (Aza)indole derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-08-23 — — US disclosed
US-20100056521-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 — — US disclosed
US-20100056521-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 — — 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 (4 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-20100056521-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, TDO2 BRD4 3430/4885TUBB4A 4058/4885TUBB 3618/4885
US-20140179932-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, TDO2 BRD4 3430/4885TUBB4A 4058/4885TUBB 3618/4885
US-20130252955-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, TDO2 BRD4 3430/4885TUBB4A 4058/4885TUBB 3618/4885
US-20110230454-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, TDO2 BRD4 3430/4885TUBB4A 4058/4885TUBB 3618/4885

“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.

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