SCHEMBL4939445

SCHEMBL4939445

Nc1ccccc1NCCn1ccnc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 9/20 0.52
SOD1 P00441 3/20 0.50
CYP19A1 P11511 3/20 0.46
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
TBXAS1 P24557 2/20 0.45
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP4Z1 Q86W10 1/20 0.44
QPCTL Q9NXS2 1/20 0.44

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
SCHEMBL7970502 0.91 QPCT (0.63) QPCTSOD1
Hydrochloric Acid SCHEMBL3872082 0.90 QPCT (0.62) QPCTSOD1
SCHEMBL18457438 0.79 QPCT (0.56) QPCTSOD1CYP19A1CYP11B1CYP11B2
SCHEMBL4280470 0.77 KAT2B (0.51) QPCTSOD1CYP19A1POLBMAPT
SCHEMBL7374461 0.76 QPCT (0.45) QPCTCYP19A1CYP11B1CYP11B2TBXAS1
Hydrochloric Acid SCHEMBL6271312 0.74 MAPT (0.38) QPCTCYP1A2CYP2D6MAPT
SCHEMBL15291900 0.74 SOD1 (0.49) QPCTSOD1CYP19A1CYP11B1CYP11B2
SCHEMBL9940703 0.74 QPCT (0.57) QPCTSOD1CYP1A2CYP3A4CYP2D6
SCHEMBL6201094 0.73 MAPT (0.52) CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL11011309 0.73 MEN1 (0.58)

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-20080096861-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-04-24 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-20080096861-A1 Chemical Compounds CCR5, CXCR4, CXCR3 QPCT 1537/4885SOD1 4701/4885CYP19A1 4189/4885

“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.