SCHEMBL2779554

SCHEMBL2779554

COc1ccccc1CNC(=Nc1ccc2ccccc2n1)NOC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 5/20 0.43
ALDH1A1 P00352 5/20 0.43
HTT P42858 2/20 0.42
MAOB P27338 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
RCE1 Q9Y256 1/20 0.42
CYP3A4 P08684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41
HDAC1 Q13547 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL2782915 0.90 MEN1 (0.44) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL2781120 0.83 KMT2A (0.49) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL2780364 0.82 HTT (0.47) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL2783033 0.82 NPC1 (0.47) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL4629836 0.82 KMT2A (0.59) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL2782499 0.81 MEN1 (0.47) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL2783291 0.80 POLB (0.48) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL2383720 0.79 MEN1 (0.46) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL2779358 0.79 NPC1 (0.44) MEN1KMT2ANPC1RAB9AHPGD
SCHEMBL2780948 0.78 HTT (0.51) MEN1KMT2ANPC1RAB9AHPGD

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 MEN1 4300/4885KMT2A 4384/4885NPC1 2234/4885

“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.