SCHEMBL2780656

SCHEMBL2780656

COc1cccc(OC)c1CNC(=N)Nc1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.52
RAB9A P51151 4/20 0.52
TP53 P04637 2/20 0.52
PKM P14618 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
GAA P10253 2/20 0.51
ALDH1A1 P00352 3/20 0.50
ALOX12 P18054 2/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 3/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
F2 P00734 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
Acetic Acid SCHEMBL2783649 0.94 NPC1 (0.53) NPC1RAB9ATP53PKMSMN1; SMN2
SCHEMBL2781504 0.87 NPC1 (0.52) NPC1RAB9ATP53PKMSMN1; SMN2
SCHEMBL2781208 0.85 ROCK2 (0.41) NPC1RAB9ATP53PKMSMN1; SMN2
SCHEMBL2780606 0.84 NPC1 (0.54) NPC1RAB9ATP53SMN1; SMN2KMT2A
SCHEMBL2778791 0.83 MAPK10 (0.47) NPC1RAB9AKMT2AMEN1
SCHEMBL2782439 0.83 NPC1 (0.40) NPC1RAB9APKMSMN1; SMN2GAA
SCHEMBL2780845 0.82 KMT2A (0.51) NPC1RAB9ATP53PKMSMN1; SMN2
Acetic Acid SCHEMBL2780360 0.82 NPC1 (0.53) NPC1RAB9ATP53PKMSMN1; SMN2
SCHEMBL2779993 0.82 ROCK2 (0.47)
SCHEMBL2782719 0.82 KMT2A (0.49) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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 NPC1 2234/4885RAB9A 1031/4885TP53 4101/4885

“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.