SCHEMBL10108427

SCHEMBL10108427

N#CCCn1cnc(N=O)c1/C=C/c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CSNK2A1 P68400 1/20 0.35
ALDH1A1 P00352 4/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
IP6K1 Q92551 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
TSHR P16473 1/20 0.31
POLB P06746 1/20 0.31
HIF1A Q16665 1/20 0.31

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
SCHEMBL10102702 0.78 LMNA (0.42) MAOAMAOBCSNK2A1ALDH1A1SMN1; SMN2
SCHEMBL10108326 0.76 IP6K1 (0.46) ALDH1A1RAB9ASMN1; SMN2KDM4EHPGD
SCHEMBL10108425 0.72 CSNK2A1 (0.40) CSNK2A1ALDH1A1KDM4ELMNAPDE4A
SCHEMBL11067774 0.62 TDP1 (0.70) RAB9ASMN1; SMN2GAALMNATSHR
SCHEMBL27280793 0.59 SIGMAR1 (0.46) MAOAMAOBRAB9A
(Z)-1,2-Diphenylethene SCHEMBL6887771 0.59 RELA (0.50) MAOAMAOB
(Z)-1,2-Diphenylethene SCHEMBL6887768 0.59 RELA (0.50) MAOAMAOB
SCHEMBL10108322 0.58 TAAR1 (0.44) ALDH1A1KDM4EHPGDGAALMNA
(Z)-1,2-Diphenylethene SCHEMBL27660887 0.57 MAOB (0.55) MAOAMAOBALDH1A1SMN1; SMN2LMNA
(Z)-1,2-Diphenylethene SCHEMBL28743228 0.57 MAOB (0.69) MAOAMAOBALDH1A1LMNAMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY AUCKLAND UNISERVICES LIMITED (NZ) 2012-03-29 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-20120077811-A1 PRODRUG FORMS OF KINASE INHIBITORS AND THEIR USE IN THERAPY NTRK3, TK1, TNNI3K MAOA 1827/4885MAOB 855/4885CSNK2A1 323/4885

“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.