SCHEMBL188386

SCHEMBL188386

N#CCc1cc(OCc2ccccc2)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
SGMS2 Q8NHU3 1/20 0.45
PIN1 Q13526 2/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 1/20 0.44
CTSV O60911 2/20 0.41
CTSL P07711 2/20 0.41
PDCD1 Q15116 2/20 0.40
CD274 Q9NZQ7 2/20 0.40
MRGPRX4 Q96LA9 2/20 0.40
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 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
SCHEMBL29805068 0.90 ALDH1A1 (0.52) ALDH1A1HPGDSGMS2PIN1POLB
SCHEMBL8967901 0.90 ALDH1A1 (0.52) ALDH1A1HPGDSGMS2PIN1POLB
SCHEMBL1401807 0.86 ALDH1A1 (0.48) ALDH1A1HPGDSGMS2PIN1POLB
SCHEMBL4373962 0.84 ALDH1A1 (0.46) ALDH1A1HPGDSGMS2POLBMEN1
SCHEMBL18863826 0.82 POLB (0.54) HPGDSGMS2PIN1POLBMEN1
SCHEMBL29894219 0.82 POLB (0.54) HPGDSGMS2PIN1POLBMEN1
SCHEMBL2568216 0.79 PIN1 (0.52) SGMS2PIN1POLBMEN1KMT2A
SCHEMBL8388636 0.79 ALDH1A1 (0.55) ALDH1A1HPGDSGMS2MEN1KMT2A
SCHEMBL1193049 0.79 PIN1 (0.49) ALDH1A1PIN1POLBMEN1KMT2A
SCHEMBL3351038 0.79 PIN1 (0.49) PIN1POLBMEN1KMT2AMAPT

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024220852-A2 TEAD CORE INHIBITORS FOR CANCER THERAPEUTICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-10-24 WO disclosed
US-9828378-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-11-28 US disclosed
US-9828378-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-11-28 US disclosed
EP-2960238-B1 MONOCYCLIC PYRIDINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2017-04-05 EP disclosed
EP-2960238-B1 MONOCYCLIC PYRIDINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2017-04-05 EP disclosed
EP-3009436-A1 KINASE INHIBITORS AND METHODS OF USE Intellikine, LLC (US) 2016-04-20 EP disclosed
US-20160024099-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2016-01-28 US disclosed
US-20160024099-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2016-01-28 US disclosed
EP-2960238-A1 MONOCYCLIC PYRIDINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2015-12-30 EP disclosed
EP-2960238-A1 MONOCYCLIC PYRIDINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2015-12-30 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-20110172228-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-07-14 US disclosed
US-20110172228-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-07-14 US disclosed
US-20100056521-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US disclosed
WO-2010006086-A2 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE, INC. (US) 2010-01-14 WO 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-20110172228-A1 KINASE INHIBITORS AND METHODS OF USE PIK3CA, MTOR, PDPK1 ALDH1A1 4685/4885HPGD 3341/4885SGMS2 974/4885
US-20100056521-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, TDO2 ALDH1A1 424/4885HPGD 178/4885SGMS2 2228/4885
US-20160024099-A1 KINASE INHIBITORS AND METHODS OF USE PIK3CA, MTOR, PDPK1 ALDH1A1 4685/4885HPGD 3341/4885SGMS2 974/4885
US-20110230454-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES XDH, DAO, TDO2 ALDH1A1 424/4885HPGD 178/4885SGMS2 2228/4885

“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.