SCHEMBL2780375

SCHEMBL2780375

COc1cccc(OC)c1CN=C(N)Nc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HSP90AA1 P07900 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
KLF5 Q13887 1/20 0.53
ALDH1A1 P00352 10/20 0.49
HPGD P15428 5/20 0.49
LMNA P02545 3/20 0.47
GAA P10253 3/20 0.47
POLB P06746 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 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
SCHEMBL2783098 0.89 KDM4E (0.50) KDM4EMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL17620891 0.84 ALDH1A1 (0.48) KDM4EMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2780372 0.78 KDM4E (0.52) KDM4EMEN1KMT2AMAPTSMN1; SMN2
Acetic Acid SCHEMBL2781962 0.75 ALDH1A1 (0.51) KDM4EMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2782330 0.74 ALDH1A1 (0.48) KDM4EMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2783092 0.71 KDM4E (0.48) KDM4EMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2447461 0.71 ATP4A (0.55) MEN1KMT2AALDH1A1MAPK1
SCHEMBL4425279 0.71 MAPT (0.54) KDM4EMEN1KMT2AMAPTSMN1; SMN2
Bromide SCHEMBL2379991 0.71 ATP4A (0.56) MEN1KMT2AALDH1A1MAPK1
SCHEMBL2779935 0.70 PLAU (0.40) KDM4EMEN1KMT2AMAPTSMN1; SMN2

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 3290/4885MEN1 4300/4885KMT2A 4384/4885

“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.