SCHEMBL402730

SCHEMBL402730

O=C(O)CNNNCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
THRB P10828 1/20 0.45
IDO1 P14902 1/20 0.45
AKR1B1 P15121 1/20 0.45
GAA P10253 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
KEAP1 Q14145 1/20 0.42
ALDH1A1 P00352 2/20 0.42
EPHX1 P07099 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL4622917 0.88 THRB (0.48) CYP2D6CYP2C19CYP1A2CYP2C9TSHR
SCHEMBL27770376 0.83 HTT (0.51) CYP2C19CYP1A2KMT2AALDH1A1LMNA
SCHEMBL15506257 0.82 IDO1 (0.55) THRBIDO1GAAKMT2AMEN1
SCHEMBL4748433 0.78 CYP2C19 (0.53) CYP2D6CYP2C19CYP1A2CYP2C9TSHR
SCHEMBL156664 0.77 MEN1 (0.56) THRBIDO1AKR1B1GAAKMT2A
Hydrochloric Acid SCHEMBL1252387 0.75 MEN1 (0.54) THRBIDO1AKR1B1GAAKMT2A
Ammonia Solution, Strong SCHEMBL27486735 0.75 MEN1 (0.54) THRBIDO1AKR1B1GAAKMT2A
SCHEMBL9509093 0.75 LDHA (0.44) CYP2D6CYP2C19TSHRALDH1A1LMNA
SCHEMBL27959104 0.74 PTPN1 (0.47) CYP2D6CYP2C19CYP1A2CYP2C9TSHR
SCHEMBL24847549 0.72 CYP1A2 (0.54) CYP2D6CYP2C19CYP1A2CYP2C9TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8318738-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-11-27 US disclosed
US-8138337-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-03-20 US disclosed
US-8106049-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-01-31 US disclosed
US-8101751-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-01-24 US disclosed
US-20110294797-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2011-12-01 US disclosed
US-8049008-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2011-11-01 US disclosed
US-20110257185-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2011-10-20 US disclosed
US-7932384-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2011-04-26 US disclosed
CN-1872856-A Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORP (KR) 2006-12-06 CN disclosed
CN-1871239-A Modulation of beta-catenin/tcf-activated transcription CHOONGWAE PHARMA CORP (KR) 2006-11-29 CN disclosed
CN-1798746-A Reverse turn mimetics and methods relating thereto CHOONGWAE PHARMA CORP (KR) 2006-07-05 CN disclosed
US-20060084655-A1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2006-04-20 US disclosed
WO-2005116032-A2 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2005-12-08 WO disclosed
US-20050059628-A1 Modulation of beta-catenin/TCF-activated transcription CHOONGWAE PHARMA CORPORATION (KR) 2005-03-17 US disclosed
CN-1585770-A Reverse turn mimetics and methods relating thereto CHOONGWAE PHARMA CORP (KR) 2005-02-23 CN disclosed
EP-1444235-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO Choongwae Pharma Corporation (KR) 2004-08-11 EP disclosed
US-20040072831-A1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2004-04-15 US disclosed
WO-2003031448-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2003-04-17 WO 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 (6 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 CYP2D6 4684/4885CYP2C19 4819/4885CYP1A2 4837/4885
US-20150057283-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, APC, WNT3 CYP2D6 4684/4885CYP2C19 4819/4885CYP1A2 4837/4885
US-20110257185-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, APC, WNT3 CYP2D6 4684/4885CYP2C19 4819/4885CYP1A2 4837/4885
US-20050059628-A1 Modulation of beta-catenin/TCF-activated transcription TCF4, TCF7, TCF7L2 CYP2D6 4469/4885CYP2C19 4857/4885CYP1A2 4121/4885
US-20110294797-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, APC, WNT3 CYP2D6 4684/4885CYP2C19 4819/4885CYP1A2 4837/4885
US-20040072831-A1 Reverse-turn mimetics and method relating thereto WNT1, APC, WNT3 CYP2D6 4678/4885CYP2C19 4818/4885CYP1A2 4836/4885

“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.