SCHEMBL2780293

SCHEMBL2780293

COc1cccc(OC)c1CNC(=Nc1cnc2ccccc2c1)NOC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
NFKB1 P19838 1/20 0.43
HTT P42858 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
ALOX12 P18054 1/20 0.38
NOTUM Q6P988 1/20 0.38
ALPL P05186 6/20 0.38
PGK1 P00558 1/20 0.38
FAAH O00519 1/20 0.37

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
SCHEMBL2782499 0.90 MEN1 (0.47) KDM4ESMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL2777876 0.83 SMN1; SMN2 (0.48) KDM4ESMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL2782915 0.81 MEN1 (0.44) KDM4ESMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL2783653 0.78 ADRA2A (0.41) KDM4ESMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL2781809 0.75 MAPK1 (0.39) KDM4ESMN1; SMN2ALDH1A1HPGDLMNA
SCHEMBL2779067 0.75 PLAU (0.42) SMN1; SMN2NPC1ALDH1A1RAB9ALMNA
SCHEMBL2381520 0.75 ROCK2 (0.40) KDM4ESMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL2379775 0.74 HIF1A (0.40) SMN1; SMN2NPC1ALDH1A1HPGDRAB9A
Acetic Acid SCHEMBL2780289 0.74 MEN1 (0.52) KDM4ESMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL2782771 0.74 PLAU (0.41) ROCK2

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 KDM4E 3290/4885SMN1; SMN2 1825/4885NPC1 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.