SCHEMBL402111

SCHEMBL402111

CNNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.68
EPHX2 P34913 1/20 0.59
CASP3 P42574 2/20 0.49
FABP5 Q01469 3/20 0.48
FABP7 O15540 2/20 0.48
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MDM4 O15151 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL13613350 0.88 KMT2A (0.72) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL29728458 0.87 KMT2A (0.62) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL411680 0.87 KMT2A (0.62) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL31173373 0.87 KMT2A (0.62) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL3699996 0.85 KMT2A (0.64) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL3757636 0.84 KMT2A (0.72) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL7113144 0.84 KMT2A (0.75) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL3050635 0.84 KMT2A (0.63) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL21332462 0.83 KMT2A (0.66) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL20126921 0.83 KMT2A (0.60) KMT2AEPHX2CASP3FABP5FABP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021113698-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 WO disclosed
WO-2020227588-A1 PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 WO disclosed
US-20200354404-A1 PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 US disclosed
US-20170266302-A1 Hydrazinyl-Substituted Heteroaryl Compounds and Methods for Producing a Conjugate R.P. SCHERER TECHNOLOGIES, LLC 2017-09-21 US disclosed
CN-103539797-B Compounds of reverse turn mimetics and uses thereof JW PHARMACEUTICAL CORPORATION (KR) 2016-05-18 CN disclosed
US-20150057283-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2015-02-26 US disclosed
US-20150057283-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2015-02-26 US disclosed
US-20150057283-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2015-02-26 US disclosed
US-8729262-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2014-05-20 US disclosed
US-8729262-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2014-05-20 US disclosed
US-20070043052-A1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2007-02-22 US disclosed
US-20070043052-A1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2007-02-22 US disclosed
US-20070043052-A1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2007-02-22 US disclosed
US-20070021425-A1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2007-01-25 US disclosed
US-20070021425-A1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2007-01-25 US disclosed
US-20070021425-A1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2007-01-25 US disclosed
US-20070021431-A1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2007-01-25 US disclosed
US-20060084655-A1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2006-04-20 US disclosed
US-20050059628-A1 Modulation of beta-catenin/TCF-activated transcription CHOONGWAE PHARMA CORPORATION (KR) 2005-03-17 US disclosed
US-20040072831-A1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2004-04-15 US 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 (9 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-20060084655-A1 Reverse-turn mimetics and method relating thereto WNT1, APC, WNT3 KMT2A 4111/4885EPHX2 3707/4885CASP3 2025/4885
US-20150057283-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, APC, WNT3 KMT2A 4111/4885EPHX2 3707/4885CASP3 2025/4885
US-20070043052-A1 Reverse-turn mimetics and method relating thereto WNT1, APC, WNT3 KMT2A 4111/4885EPHX2 3707/4885CASP3 2025/4885
US-20070021431-A1 Reverse-turn mimetics and method relating thereto WNT1, APC, WNT3 KMT2A 4111/4885EPHX2 3707/4885CASP3 2025/4885
US-20170266302-A1 Hydrazinyl-Substituted Heteroaryl Compounds and Methods for Producing a Conjugate HNMT, TIAL1, HACL2 KMT2A 515/4885EPHX2 300/4885CASP3 1957/4885
US-20050059628-A1 Modulation of beta-catenin/TCF-activated transcription TCF4, TCF7, TCF7L2 KMT2A 1550/4885EPHX2 3177/4885CASP3 1760/4885
US-20200354404-A1 PEPTIDOMIMETIC AGENTS, SYNTHESIS AND USES THEREOF DNPEP, PEPD, ANPEP KMT2A 4615/4885EPHX2 2333/4885CASP3 1914/4885
US-20070021425-A1 Reverse-turn mimetics and method relating thereto WNT1, APC, WNT3 KMT2A 4111/4885EPHX2 3707/4885CASP3 2025/4885
US-20040072831-A1 Reverse-turn mimetics and method relating thereto WNT1, APC, WNT3 KMT2A 4102/4885EPHX2 3697/4885CASP3 1976/4885

“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.