SCHEMBL2777872

SCHEMBL2777872

COc1cccc(OC)c1CNC(=N)Nc1cnc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.56
RAB9A P51151 7/20 0.56
ALDH1A1 P00352 5/20 0.56
NPC1 O15118 5/20 0.56
MAPT P10636 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
GAA P10253 3/20 0.56
HPGD P15428 3/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NOTUM Q6P988 1/20 0.49
TSHR P16473 2/20 0.47
HSD17B10 Q99714 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 2/20 0.46

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 SCHEMBL2780289 0.95 MEN1 (0.52) KDM4ERAB9AALDH1A1NPC1MAPT
SCHEMBL2780563 0.88 KDM4E (0.58) KDM4ERAB9AALDH1A1NPC1MAPT
Acetic Acid SCHEMBL2782497 0.84 KDM4E (0.53) KDM4ERAB9AALDH1A1NPC1MAPT
SCHEMBL2780727 0.80 NOTUM (0.47) KDM4ERAB9AALDH1A1NPC1MAPT
SCHEMBL17620895 0.79 NPC1 (0.48) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL2777876 0.75 SMN1; SMN2 (0.48) KDM4ERAB9AALDH1A1NPC1MAPT
SCHEMBL2781208 0.75 ROCK2 (0.41) KDM4ERAB9AALDH1A1NPC1MAPT
SCHEMBL2450558 0.74 NPC1 (0.56) KDM4ERAB9AALDH1A1NPC1MAPT
SCHEMBL2379326 0.74 RAB9A (0.56) KDM4ERAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2780656 0.74 NPC1 (0.52) KDM4ERAB9AALDH1A1NPC1MAPT

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 KDM4E 3290/4885RAB9A 1031/4885ALDH1A1 1066/4885

“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.