SCHEMBL16638418

SCHEMBL16638418

OC(Cn1c2c(c3cc(Cl)ccc31)CCCC2)c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
LMNA P02545 3/20 0.45
ALDH1A1 P00352 4/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HPGD P15428 2/20 0.45
KDM4E B2RXH2 5/20 0.44
MAPK1 P28482 3/20 0.44
HSD17B10 Q99714 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ACLY P53396 1/20 0.44
RAD52 P43351 1/20 0.44
NLRP1 Q9C000 1/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43
NTSR1 P30989 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL16638424 0.87 KMT2A (0.62) KMT2AMEN1LMNAALDH1A1NPSR1
SCHEMBL3235380 0.87 HDAC1 (0.46) KMT2AMEN1RAD52NLRP1BCHE
SCHEMBL16638438 0.87 LMNA (0.45) KMT2AMEN1LMNAALDH1A1NPSR1
SCHEMBL12480665 0.87 HDAC1 (0.48) KMT2AMEN1RAD52NLRP1BCHE
SCHEMBL16638439 0.86 KMT2A (0.47) KMT2AMEN1LMNAALDH1A1NPSR1
SCHEMBL12479756 0.85 CYP3A4 (0.45) RAD52NLRP1
SCHEMBL169856 0.84 HRH1 (0.55) BCHE
SCHEMBL12819909 0.84 HDAC1 (0.46) RAD52NLRP1BCHE
SCHEMBL13834264 0.82 GRIN2D (0.43) RAD52NLRP1BCHE
SCHEMBL16638437 0.81 GRIN2D (0.47) KMT2AMEN1RAD52NLRP1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2015-09-24 US disclosed
US-9006263-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-14 US 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-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 KMT2A 2261/4885MEN1 1590/4885LMNA 2784/4885

“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.