SCHEMBL731910

SCHEMBL731910

[CH2]CCCc1n[nH]c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.46
GAA P10253 2/20 0.46
PDPK1 O15530 1/20 0.46
CYP3A4 P08684 1/20 0.46
IDO1 P14902 3/20 0.43
ALDH1A1 P00352 3/20 0.43
ALPL P05186 1/20 0.43
HPGD P15428 1/20 0.43
TTK P33981 1/20 0.43
MAPK10 P53779 1/20 0.43
LRRK2 Q5S007 2/20 0.40
CYP1A2 P05177 1/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
TP53 P04637 1/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL730150 0.89 KDM4E (0.48) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL320109 0.82 KDM4E (0.46) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL1326632 0.82 KDM4E (0.46) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL3839330 0.82 KDM4E (0.47) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL2071550 0.82 KDM4E (0.50) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL730574 0.81 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL2876088 0.81 MEN1 (0.45) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL29117330 0.79 MEN1 (0.47) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL10479759 0.79 KDM4E (0.51) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL1901123 0.78 ATM (0.42) KDM4EGAAPDPK1CYP3A4IDO1

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212328-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF CHOONGWAE PHARMA CORP (KR) 2017-01-25 EP disclosed
EP-2212330-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (3) CHOONGWAE PHARMA CORP (KR) 2015-04-08 EP disclosed
EP-2212329-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORP (KR) 2014-07-30 EP disclosed
US-8138337-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2012-03-20 US disclosed
US-8080657-B2 Compounds of reverse turn mimetics and the use thereof CHOONGWAE PHARMA CORPORATION (KR) 2011-12-20 US disclosed
US-8071764-B2 Compounds of reverse turn mimetics and the use thereof (2) CHOONGWAE PHARMA CORPORATION (KR) 2011-12-06 US disclosed
US-8049008-B2 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2011-11-01 US disclosed
US-20100286094-A1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF CHOONGWAE PHARMA CORPORATION (KR) 2010-11-11 US disclosed
US-20100240662-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2010-09-23 US disclosed
US-20100228027-A1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) CHOONGWAE PHARMA CORPORATION (KR) 2010-09-09 US disclosed
US-20100222303-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO CHOONGWAE PHARMA CORPORATION (KR) 2010-09-02 US disclosed
EP-2212329-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) Choongwae Pharma Corporation (KR) 2010-08-04 EP disclosed
EP-2212328-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) Choongwae Pharma Corporation (KR) 2010-08-04 EP disclosed
EP-2212330-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (3) Choongwae Pharma Corporation (KR) 2010-08-04 EP disclosed
US-7671054-B1 Reverse-turn mimetics and method relating thereto CHOONGWAE PHARMA CORPORATION (KR) 2010-03-02 US disclosed
WO-2009051398-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) CHOONGWAE PHARMA CORPORATION (KR) 2009-04-23 WO disclosed
WO-2009051397-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (3) CHOONGWAE PHARMA CORPORATION (KR) 2009-04-23 WO disclosed
WO-2009051399-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORPORATION (KR) 2009-04-23 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 (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-20100286094-A1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF MCL1, MYADM, FLT3 KDM4E 2477/4885GAA 3967/4885PDPK1 3800/4885
US-20100222303-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, WNT3, APC KDM4E 2885/4885GAA 3527/4885PDPK1 3126/4885
US-20100228027-A1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (2) MCL1, BID, MYADM KDM4E 2054/4885GAA 3527/4885PDPK1 3586/4885
US-20100240662-A1 REVERSE-TURN MIMETICS AND METHOD RELATING THERETO WNT1, WNT3, APC KDM4E 2885/4885GAA 3527/4885PDPK1 3126/4885

“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.