SCHEMBL188160

SCHEMBL188160

CCOC(=O)c1ccc(-n2cc(C=O)c3ccc([N+](=O)[O-])cc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.51
MAPT P10636 9/20 0.49
ALDH1A1 P00352 6/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
TP53 P04637 1/20 0.46
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ELANE P08246 2/20 0.43
KDM4E B2RXH2 2/20 0.43
F2 P00734 1/20 0.43
PLAU P00749 1/20 0.43
CTRB1 P17538 1/20 0.43
MAPK1 P28482 1/20 0.43
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL188275 0.83 NPC1 (0.50) NPC1MAPTALDH1A1MEN1KMT2A
SCHEMBL187528 0.78 MAPT (0.51) NPC1MAPTALDH1A1MEN1KMT2A
SCHEMBL13883667 0.74 ALDH1A1 (0.51) MAPTALDH1A1MEN1KMT2ALMNA
4-Nitrobenzoic Acid Ethyl Ester SCHEMBL1500579 0.73 KCNJ1 (0.68) NPC1MAPTALDH1A1MEN1KMT2A
SCHEMBL187592 0.73 HPGD (0.37) NPC1MAPTALDH1A1LMNAGAA
SCHEMBL12309703 0.73 HPGD (0.37) NPC1MAPTALDH1A1MEN1KMT2A
4-Nitrobenzoic Acid Ethyl Ester SCHEMBL21246856 0.72 KCNJ1 (0.67) NPC1MAPTALDH1A1MEN1KMT2A
4-Nitrobenzoic Acid Ethyl Ester SCHEMBL28242787 0.72 KCNJ1 (0.67) NPC1MAPTALDH1A1MEN1KMT2A
4-Nitrobenzoic Acid Ethyl Ester SCHEMBL27941051 0.72 KCNJ1 (0.67) NPC1MAPTALDH1A1MEN1KMT2A
SCHEMBL12670703 0.72 GABRA2 (0.42) MAPTALDH1A1LMNASMN1; SMN2POLB

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 12 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-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-20130252955-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2013-09-26 US disclosed
EP-2133332-B1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL (JP) 2013-09-18 EP disclosed
EP-2402314-B1 (Aza)indole derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL (JP) 2013-07-31 EP disclosed
US-8466152-B2 (aza)indole derivative and use thereof for medical purposes KISSEI PHARMACEUTICAL CO., LTD. (JP) 2013-06-18 US disclosed
EP-2402314-A1 (Aza)indole derivative and use thereof for medical purposes Kissei Pharmaceutical Co., Ltd. (JP) 2012-01-04 EP 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-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 NPC1 3301/4885MAPT 4787/4885ALDH1A1 424/4885
US-20140179932-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, TDO2 NPC1 3301/4885MAPT 4787/4885ALDH1A1 424/4885
US-20130252955-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, TDO2 NPC1 3301/4885MAPT 4787/4885ALDH1A1 424/4885
US-20110230454-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, TDO2 NPC1 3301/4885MAPT 4787/4885ALDH1A1 424/4885

“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.