SCHEMBL8138317

SCHEMBL8138317

Nc1cc(C(=O)OCc2ccccc2)ccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.65
HPGD P15428 5/20 0.64
ALDH1A1 P00352 6/20 0.60
KDM4E B2RXH2 4/20 0.60
MEN1 O00255 1/20 0.60
TDP1 Q9NUW8 2/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A3 Q01959 1/20 0.58
LMNA P02545 2/20 0.58
RAB9A P51151 5/20 0.55
NPC1 O15118 3/20 0.55
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HSD17B10 Q99714 2/20 0.53
POLB P06746 2/20 0.51
MAPK1 P28482 1/20 0.51
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50

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
SCHEMBL20400956 0.88 KMT2A (0.58) KMT2AHPGDALDH1A1KDM4EMEN1
SCHEMBL4516565 0.86 KMT2A (0.64) KMT2AHPGDALDH1A1KDM4EMEN1
SCHEMBL8059715 0.84 LMNA (0.64) KMT2AHPGDALDH1A1KDM4EMEN1
SCHEMBL8128313 0.84 TDP1 (0.60) KMT2AHPGDALDH1A1KDM4EMEN1
SCHEMBL30306818 0.84 LMNA (0.64) KMT2AHPGDALDH1A1KDM4EMEN1
SCHEMBL10761969 0.83 KMT2A (0.55) KMT2AHPGDALDH1A1KDM4EMEN1
SCHEMBL7423041 0.82 KMT2A (0.58) KMT2AHPGDALDH1A1KDM4EMEN1
SCHEMBL15754802 0.82 KMT2A (0.58) KMT2AHPGDALDH1A1KDM4EMEN1
SCHEMBL20831010 0.82 KMT2A (0.58) KMT2AHPGDALDH1A1MEN1TDP1
SCHEMBL10323667 0.82 TDP1 (0.58) KMT2AHPGDALDH1A1KDM4ETDP1

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
WO-2012098065-A1 PYRIDO PYRIMIDINES FOR USE AS DYRK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-07-26 WO disclosed
US-20120184542-A1 PYRIDO PYRIMIDINES ANDERSON KEVIN (US) 2012-07-19 US disclosed
EP-0720601-B1 GASTRIN AND CCK RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2000-10-25 EP disclosed
US-5919829-A Gastrin and cck receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 1999-07-06 US disclosed
US-5795907-A Gastin and CCK receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 1998-08-18 US disclosed
EP-0720601-A1 GASTRIN AND CCK RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1996-07-10 EP disclosed
WO-1995004720-A2 GASTRIN AND CCK RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 1995-02-16 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 (1 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-20120184542-A1 PYRIDO PYRIMIDINES TYMS, TYMP, DPYD KMT2A 2283/4885HPGD 750/4885ALDH1A1 2619/4885

“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.