SCHEMBL2780845

SCHEMBL2780845

COc1cccc(OC)c1CNC(=N)Nc1ccc(C)cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.51
RAB9A P51151 6/20 0.46
NPC1 O15118 4/20 0.46
RXFP1 Q9HBX9 1/20 0.46
GAA P10253 2/20 0.44
MITF O75030 1/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ROCK2 O75116 1/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.41
PKM P14618 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 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
SCHEMBL2780338 0.94 KMT2A (0.48) KMT2AMEN1RAB9ANPC1RXFP1
SCHEMBL2781082 0.92 MAPK1 (0.51) KMT2AMEN1RAB9ANPC1RXFP1
SCHEMBL2778249 0.92 KMT2A (0.46) KMT2AMEN1RAB9ANPC1RXFP1
Acetic Acid SCHEMBL2782155 0.87 KMT2A (0.47) KMT2AMEN1RAB9ANPC1RXFP1
Acetic Acid SCHEMBL2780844 0.87 MAPK1 (0.52) KMT2AMEN1RAB9ANPC1RXFP1
SCHEMBL2784131 0.86 ROCK2 (0.42) KMT2AMEN1RAB9ANPC1GAA
SCHEMBL4629710 0.86 KMT2A (0.53) KMT2AMEN1RAB9ANPC1RXFP1
SCHEMBL2779993 0.84 ROCK2 (0.47) ROCK2
SCHEMBL2780626 0.83 HCRTR1 (0.41) KMT2AMEN1RAB9ANPC1GAA
SCHEMBL17620892 0.83 ROCK2 (0.47) ROCK2MAPK1

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-9296697-B2 Hetaryl-substituted guanidine compounds and use thereof as binding partners for 5-HT5-receptors ABBOTT LABORATORIES (US) 2016-03-29 US claimed
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 KMT2A 4384/4885MEN1 4300/4885RAB9A 1031/4885

“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.