SCHEMBL187779

SCHEMBL187779

COc1cc(C=C[N+](=O)[O-])c([N+](=O)[O-])cc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.53
ALDH1A1 P00352 5/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
HPGD P15428 2/20 0.53
KDM4E B2RXH2 3/20 0.52
NPC1 O15118 2/20 0.52
LMNA P02545 2/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PKM P14618 2/20 0.52
USP2 O75604 1/20 0.52
NSD2 O96028 1/20 0.52
POLB P06746 1/20 0.52
HSP90AA1 P07900 1/20 0.52
THRB P10828 1/20 0.52
APEX1 P27695 1/20 0.52
MAPK1 P28482 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52

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
SCHEMBL187778 1.00 MAPT (0.53) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL15952706 1.00 MAPT (0.53) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL15952707 1.00 MAPT (0.53) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL8010335 0.94 TLR4 (0.54) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL8010330 0.94 TLR4 (0.54) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL15984634 0.89 MAPT (0.54) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL15952366 0.89 MAPT (0.46) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL15952365 0.89 MAPT (0.46) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL10542672 0.88 TLR4 (0.47) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL10542664 0.88 TLR4 (0.47) MAPTALDH1A1MEN1KMT2AHPGD

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 MAPT 4787/4885ALDH1A1 424/4885MEN1 4333/4885
US-20140179932-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, TDO2 MAPT 4787/4885ALDH1A1 424/4885MEN1 4333/4885
US-20130252955-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, TDO2 MAPT 4787/4885ALDH1A1 424/4885MEN1 4333/4885
US-20110230454-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, TDO2 MAPT 4787/4885ALDH1A1 424/4885MEN1 4333/4885

“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.