SCHEMBL10126535

SCHEMBL10126535

Cc1c(NCCCBr)cc(C)c2[nH]cnc12

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
MEN1 O00255 1/20 0.30
CSNK2A2 P19784 1/20 0.30
RAB9A P51151 1/20 0.30
CSNK2B P67870 1/20 0.30
CSNK2A1 P68400 1/20 0.30
KMT2A Q03164 1/20 0.30
DYRK1A Q13627 1/20 0.30
CSNK2A3 Q8NEV1 1/20 0.30

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
SCHEMBL10126616 0.72 MAPT (0.33) MEN1KMT2A
SCHEMBL6142539 0.69 PDPK1 (0.30) MEN1KMT2A
SCHEMBL8927070 0.68 L3MBTL1 (0.38) MEN1KMT2A
Bromide SCHEMBL6142159 0.68
SCHEMBL6142564 0.65 PDPK1 (0.37) XDHCYP3A4MEN1CSNK2A2RAB9A
SCHEMBL8926989 0.65 ADRA2A (0.52) CYP1A2CYP3A4CYP2D6
SCHEMBL10111202 0.64 PDPK1 (0.41) MEN1CSNK2A2RAB9ACSNK2BCSNK2A1
SCHEMBL25647646 0.63 ABL1 (0.44) MEN1CSNK2A2RAB9ACSNK2BCSNK2A1
SCHEMBL10126613 0.62 HTR1A (0.36)
SCHEMBL6581839 0.61 PDPK1 (0.32)

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-20120168693-A1 SILVER-(CONJUGATED COMPOUND) COMPOSITE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-05 US disclosed
US-20120032121-A1 METALLIC COMPOSITE AND COMPOSITION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-09 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-20120032121-A1 METALLIC COMPOSITE AND COMPOSITION THEREOF CDH1, EPCAM, CD4 XDH 3812/4885CYP1A2 2849/4885CYP3A4 2096/4885

“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.