SCHEMBL570412

SCHEMBL570412

OCCn1n[c]c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ATM Q13315 2/20 0.37
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
SLC5A2 P31639 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL29199475 0.81 SLC9A1 (0.47) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL29199466 0.79 SLC9A1 (0.50) ALDH1A1TSHR
SCHEMBL3801864 0.77 SLC9A1 (0.51)
SCHEMBL570746 0.77 SLC9A1 (0.44) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL570629 0.76 CDK4 (0.37) TDO2ALDH1A1TSHRNPSR1KDM4E
SCHEMBL18487132 0.75 ALDH1A1 (0.43) MEN1KMT2AALDH1A1TSHRNPSR1
SCHEMBL3326163 0.74 GRM2 (0.47) MEN1KMT2AALDH1A1TSHRKDM4E
SCHEMBL1176401 0.73 LMNA (0.36) MEN1KMT2AALDH1A1TSHRNPSR1
SCHEMBL3705991 0.71 GRM2 (0.42) TDO2ALDH1A1NPSR1KDM4E
SCHEMBL3779522 0.71 POLB (0.47) KMT2AALDH1A1TSHRNPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212329-B1 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORP (KR) 2014-07-30 EP claimed
CN-101827849-A Novel compounds of reverse turn mimetics and the use thereof (1) CHOONGWAE PHARMA CORP 2010-09-08 CN claimed
EP-2212329-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) Choongwae Pharma Corporation (KR) 2010-08-04 EP claimed
WO-2009051399-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) CHOONGWAE PHARMA CORPORATION (KR) 2009-04-23 WO claimed
US-20170152288-A1 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY NOVALIX DEUTSCHLAND GMBH (DE) 2017-06-01 US disclosed
US-8999974-B2 Acyl piperazine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-04-07 US disclosed
EP-2601208-B1 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY GRAFFINITY PHARMACEUTICALS GMBH (DE) 2015-02-11 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
CN-101827849-B Novel compounds of reverse turn mimetics and uses thereof CHOONGWAE PHARMA CORP 2013-07-24 CN disclosed
US-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC. (JP) 2013-06-13 US disclosed
EP-2601208-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY Graffinity Pharmaceuticals GmbH (DE) 2013-06-12 EP disclosed
US-20130131321-A1 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY GRAFFINITY PHARMACEUTICALS GMBH (DE) 2013-05-23 US disclosed
WO-2012017021-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY GRAFFINITY PHARMACEUTICALS GMBH (DE) 2012-02-09 WO disclosed
CN-101827849-A Novel compounds of reverse turn mimetics and the use thereof (1) CHOONGWAE PHARMA CORP 2010-09-08 CN disclosed
EP-2212329-A2 NOVEL COMPOUNDS OF REVERSE TURN MIMETICS AND THE USE THEREOF (1) Choongwae Pharma Corporation (KR) 2010-08-04 EP 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 (3 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-20170152288-A1 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY FCGR1A, FCGR2A, FCGR3B TDO2 4165/4885MEN1 3656/4885KMT2A 2553/4885
US-20130150356-A1 Acyl Piperazine Derivatives as TTX-S Blockers SCN5A, SCN2A, CACNA1G TDO2 3106/4885MEN1 4301/4885KMT2A 1431/4885
US-20130131321-A1 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY FCGR1A, FCGR2A, FCER2 TDO2 1480/4885MEN1 3015/4885KMT2A 1127/4885

“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.