SCHEMBL187743

SCHEMBL187743

N#Cc1c[nH]c2cc(Cl)c(OCc3ccccc3)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.64
MAOB P27338 1/20 0.44
IMPDH1 P20839 1/20 0.43
IDH1 O75874 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MRGPRX4 Q96LA9 4/20 0.41
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
EGFR P00533 1/20 0.40
ERBB2 P04626 1/20 0.40
DYRK1A Q13627 1/20 0.40
XDH P47989 1/20 0.39
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL187805 0.86 IMPDH2 (0.65) IMPDH2MAOBIMPDH1L3MBTL1MRGPRX4
SCHEMBL187603 0.84 IMPDH2 (0.62) IMPDH2MAOBIMPDH1IDH1EGFR
SCHEMBL2737160 0.81 L3MBTL1 (0.44) IMPDH2L3MBTL1MRGPRX4SLC6A4NPC1
SCHEMBL27708665 0.78 IMPDH2 (1.00) IMPDH2MAOBIMPDH1SLC6A4SMN1; SMN2
SCHEMBL5857843 0.78 IMPDH2 (0.81) IMPDH2MAOBIMPDH1SLC6A4
SCHEMBL186998 0.78 IMPDH2 (0.43) IMPDH2L3MBTL1MRGPRX4EGFRNPC1
SCHEMBL6184634 0.76 IMPDH2 (0.56) IMPDH2MAOBMRGPRX4XDHSMN1; SMN2
SCHEMBL31188619 0.76 MDH2 (0.49) MRGPRX4RAB9ASMN1; SMN2
SCHEMBL2063188 0.75 CTSV (0.60) IMPDH2IDH1EGFRXDHSMN1; SMN2
SCHEMBL31188614 0.74 MAPT (0.50) IMPDH2L3MBTL1CYP2D6EGFRNPC1

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.