SCHEMBL5780969

SCHEMBL5780969

COc1ccc(C(=N)Nc2ccc(C)cc2)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
USP2 O75604 1/20 0.48
PABPC1 P11940 2/20 0.48
NNMT P40261 1/20 0.46
RAB9A P51151 7/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 4/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 6/20 0.43
NPC1 O15118 5/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 4/20 0.43
HTT P42858 1/20 0.43
P4HTM Q9NXG6 1/20 0.43
S1PR2 O95136 2/20 0.42
S1PR4 O95977 2/20 0.42
S1PR1 P21453 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
XBP1 P17861 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
SCHEMBL5782172 0.87 CXCR1 (0.53) MEN1KMT2APABPC1NNMTRAB9A
SCHEMBL5782764 0.87 NNMT (0.47) MEN1KMT2APABPC1NNMTRAB9A
SCHEMBL5594217 0.82 KCNH2 (0.47) MEN1KMT2AUSP2PABPC1NNMT
SCHEMBL5783122 0.81 RAB9A (0.48) RAB9ASMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL5421835 0.79 MAPT (0.55) MEN1KMT2APABPC1RAB9ASMN1; SMN2
SCHEMBL1725895 0.78 NNMT (0.54) MEN1KMT2APABPC1NNMTRAB9A
SCHEMBL31546343 0.78 NNMT (0.54) MEN1KMT2APABPC1NNMTRAB9A
SCHEMBL21424948 0.77 NPC1 (0.57) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL13947158 0.77 SMN1; SMN2 (0.65) MEN1KMT2AUSP2PABPC1RAB9A
SCHEMBL5780823 0.74 F2 (0.50) MEN1KMT2ANNMTRAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP 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-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 MEN1 2886/4885KMT2A 4143/4885USP2 3810/4885

“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.