SCHEMBL2780948

SCHEMBL2780948

COc1ccccc1CNC(=Nc1cc(-c2ccccc2)ccn1)NOC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
PLAU P00749 1/20 0.46
POLB P06746 2/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
ANO1 Q5XXA6 1/20 0.43
CYP3A4 P08684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
HDAC1 Q13547 1/20 0.42

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
SCHEMBL2779358 0.89 NPC1 (0.44) HTTPOLBKMT2AMEN1NPC1
SCHEMBL2780364 0.87 HTT (0.47) HTTPOLBKMT2AMEN1NPC1
SCHEMBL2781949 0.83 PLAU (0.52) HTTPLAUPOLBKMT2AMEN1
SCHEMBL2778265 0.83 ROCK2 (0.39) PLAUPOLBKMT2ACYP3A4ALDH1A1
SCHEMBL2783291 0.82 POLB (0.48) HTTPOLBKMT2AMEN1NPC1
SCHEMBL2781120 0.81 KMT2A (0.49) HTTKMT2AMEN1NPC1RAB9A
SCHEMBL2781494 0.80 HTT (0.46) HTTPOLBKMT2AMEN1NPC1
SCHEMBL2783033 0.80 NPC1 (0.47) HTTPOLBKMT2AMEN1NPC1
SCHEMBL2780725 0.79 HTT (0.44) HTTPOLBKMT2AMEN1NPC1
SCHEMBL2778983 0.78 POLB (0.44) HTTPOLBKMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 US disclosed
US-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-07-22 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-20100184787-A1 Heataryl-substituted guanidine compounds and use thereof as binding partners for 5-ht5-receptors HTR5A, HTR2C, HTR1E HTT 61/4885PLAU 3291/4885POLB 4100/4885

“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.