SCHEMBL3709879

SCHEMBL3709879

CCOC(=O)c1csc(Cc2c(-c3ccccc3)[nH]c3cc(OC)ccc23)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
HSP90AA1 P07900 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.46
MMP13 P45452 3/20 0.44
MMP1 P03956 1/20 0.44
ALDH1A1 P00352 6/20 0.44
LMNA P02545 3/20 0.44
TUBB4A P04350 2/20 0.44
TUBB P07437 2/20 0.44
TUBA3C P0DPH7 2/20 0.44
TUBA1B P68363 2/20 0.44
TUBA4A P68366 2/20 0.44
TUBB4B P68371 2/20 0.44
TUBB3 Q13509 2/20 0.44
TUBB2A Q13885 2/20 0.44
TUBB8 Q3ZCM7 2/20 0.44
TUBA3E Q6PEY2 2/20 0.44
TUBA1A Q71U36 2/20 0.44

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
SCHEMBL4568231 0.90 SMN1; SMN2 (0.49) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4568445 0.85 TUBB4A (0.44) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL4568514 0.85 MMP13 (0.47) MAPTNPC1RAB9AHSP90AA1SMN1; SMN2
SCHEMBL15975191 0.84 SMN1; SMN2 (0.49) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3715217 0.81 MAPT (0.43) MAPTNPC1RAB9AHSP90AA1SMN1; SMN2
SCHEMBL4568562 0.78 TUBB4A (0.48) SMN1; SMN2ALDH1A1TUBB4ATUBBTUBA3C
SCHEMBL15998612 0.78 ALDH1A1 (0.42) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4568446 0.78 TUBB4A (0.46) MAPTALDH1A1LMNATUBB4ATUBB
SCHEMBL3698700 0.77 TUBB4A (0.44) MAPTNPC1RAB9AHSP90AA1SMN1; SMN2
SCHEMBL4568441 0.76 TUBB4A (0.46) MAPTRAB9ASMN1; SMN2ALDH1A1LMNA

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 8 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
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 MAPT 3199/4885NPC1 1150/4885RAB9A 1646/4885
US-20130317065-A1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R MAPT 3362/4885NPC1 1715/4885RAB9A 1556/4885

“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.