SCHEMBL187805

SCHEMBL187805

Cc1cc2[nH]cc(C#N)c2cc1OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.65
MAOB P27338 1/20 0.45
IMPDH1 P20839 1/20 0.44
HTR6 P50406 3/20 0.43
KCNH2 Q12809 3/20 0.43
SLC6A4 P31645 2/20 0.42
CYP2D6 P10635 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40

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
SCHEMBL187603 0.88 IMPDH2 (0.62) IMPDH2MAOBIMPDH1MAPT
SCHEMBL187743 0.86 IMPDH2 (0.64) IMPDH2MAOBIMPDH1SLC6A4CYP2D6
SCHEMBL15730391 0.85 IMPDH2 (0.48) IMPDH2MAOBHTR6KCNH2MAPT
SCHEMBL2736978 0.82 IMPDH2 (0.45) IMPDH2MAPTMAPK1TDP1L3MBTL1
SCHEMBL15724411 0.80 IMPDH2 (0.43) IMPDH2HTR6KCNH2MAPTMAPK1
SCHEMBL5857843 0.79 IMPDH2 (0.81) IMPDH2MAOBIMPDH1SLC6A4MAPT
SCHEMBL27708665 0.79 IMPDH2 (1.00) IMPDH2MAOBIMPDH1SLC6A4MAPT
SCHEMBL2063188 0.79 CTSV (0.60) IMPDH2MAPT
SCHEMBL187332 0.79 MAPT (0.44) IMPDH2MAPTMAPK1TDP1L3MBTL1
SCHEMBL9738676 0.78 CTSV (0.49) IMPDH2MAOBSLC6A4MAPTMAPK1

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 28 patents — showing the first 20. 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-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-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-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-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-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-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
US-20100056521-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US disclosed
EP-2133332-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2009-12-16 EP 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 IMPDH2 117/4885MAOB 24/4885IMPDH1 211/4885
US-20140179932-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, TDO2 IMPDH2 117/4885MAOB 24/4885IMPDH1 211/4885
US-20130252955-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, TDO2 IMPDH2 117/4885MAOB 24/4885IMPDH1 211/4885
US-20110230454-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, TDO2 IMPDH2 117/4885MAOB 24/4885IMPDH1 211/4885

“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.