SCHEMBL4930152

SCHEMBL4930152

COc1ccc(OC)c(CCN(CCC(=O)O)C(=O)c2ccccc2-c2ccccc2C(=O)NCc2cccnc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
TSHR P16473 1/20 0.49
BLM P54132 1/20 0.49
RECQL P46063 1/20 0.49
KCNK3 O14649 1/20 0.49
KCNH2 Q12809 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.48
POLB P06746 2/20 0.48
MAPK8 P45983 1/20 0.47
ALDH1A1 P00352 5/20 0.47
RAB9A P51151 1/20 0.47
USP2 O75604 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
Hydrochloric Acid SCHEMBL1192159 0.99 KMT2A (0.49) KMT2AMAPTMEN1SMN1; SMN2CYP1A2
SCHEMBL5403729 0.92 RAB9A (0.52) KMT2AMAPTMEN1TSHRHTT
SCHEMBL5392400 0.91 HTT (0.52) KMT2AMAPTCYP1A2CYP3A4TSHR
SCHEMBL5393968 0.90 RAB9A (0.60) KMT2AMAPTHTTPOLBMAPK8
SCHEMBL4925143 0.89 TAS1R3 (0.50) MAPTHTTPOLBMAPK8ALDH1A1
SCHEMBL5403376 0.89 RAB9A (0.56) KMT2AMAPTMEN1SMN1; SMN2RECQL
SCHEMBL5412112 0.89 KCNK3 (0.55) KMT2AMAPTMEN1SMN1; SMN2RECQL
SCHEMBL5402996 0.88 POLB (0.54) KMT2AMAPTCYP1A2CYP3A4TSHR
SCHEMBL4930711 0.88 KMT2A (0.52) KMT2AMAPTMEN1SMN1; SMN2CYP1A2
SCHEMBL5392453 0.87 RAB9A (0.52) KMT2AMAPTMEN1HTTMAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080064731-A1 REMEDY FOR CHRONIC DISEASE ONO PHARMACEUTICAL CO.,LTD. 2008-03-13 US disclosed
US-7300917-B2 Remedy for chronic disease ONO PHARMACEUTICALS CO., LTD. (JP) 2007-11-27 US disclosed
US-7285680-B2 β-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-10-23 US disclosed
US-20060135577-A1 Remedy for chronic disease ONO PHARMACEUTICAL CO., LTD. (JP) 2006-06-22 US disclosed
US-20050256160-A1 Beta-alanine derivatives and the use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2005-11-17 US disclosed
EP-1550461-A1 REMEDY FOR CHRONIC DISEASE ONO PHARMACEUTICAL CO., LTD. (JP) 2005-07-06 EP disclosed
EP-1533294-A1 BETA-ALANINE DERIVATIVE AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-25 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 (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-20050256160-A1 Beta-alanine derivatives and the use thereof TGFB1, PML, APOB KMT2A 2451/4885MAPT 457/4885MEN1 891/4885
US-20080064731-A1 REMEDY FOR CHRONIC DISEASE EDNRA, EDNRB, LPAR2 KMT2A 946/4885MAPT 4514/4885MEN1 4134/4885
US-20060135577-A1 Remedy for chronic disease EDNRA, EDNRB, LPAR2 KMT2A 946/4885MAPT 4514/4885MEN1 4134/4885

“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.