SCHEMBL3698646

SCHEMBL3698646

COC(=O)c1cccc(Cc2c(-c3ccccc3)[nH]c3cc(OC)ccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 4/20 0.51
TUBB P07437 4/20 0.51
TUBA3C P0DPH7 4/20 0.51
TUBA1B P68363 4/20 0.51
TUBA4A P68366 4/20 0.51
TUBB4B P68371 4/20 0.51
TUBB3 Q13509 4/20 0.51
TUBB2A Q13885 4/20 0.51
TUBB8 Q3ZCM7 4/20 0.51
TUBA3E Q6PEY2 4/20 0.51
TUBA1A Q71U36 4/20 0.51
TUBA1C Q9BQE3 4/20 0.51
TUBB6 Q9BUF5 4/20 0.51
TUBB2B Q9BVA1 4/20 0.51
TUBB1 Q9H4B7 4/20 0.51
MTNR1A P48039 4/20 0.49
MTNR1B P49286 4/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 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
SCHEMBL3709905 0.92 TUBB4A (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4568101 0.91 MDM4 (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4568116 0.90 MRGPRX4 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4568114 0.89 MDM4 (0.47) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4568103 0.89 MDM4 (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4568438 0.88 TUBB4A (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4568100 0.88 TUBB4A (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3703830 0.88 TUBB4A (0.60) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL10314414 0.88 MDM4 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4568182 0.88 TUBB4A (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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
US-8815903-B2 Indole derivative and pharmacologically acceptable salt thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2014-08-26 US disclosed
EP-2669272-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT OF SAME Kissei Pharmaceutical Co., Ltd. (JP) 2013-12-04 EP disclosed
US-20130317065-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL COMPANY, LIMITED (JP) 2013-11-28 US disclosed
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed
EP-2474530-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2012-07-11 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R TUBB4A 3781/4885TUBB 2811/4885TUBA3C 4139/4885
US-20130317065-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R TUBB4A 3294/4885TUBB 2139/4885TUBA3C 4076/4885

“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.