SCHEMBL6930127

SCHEMBL6930127

Nc1nc2c(N)c(Cc3cccc(Cl)c3)ccc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.46
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
PNP P00491 1/20 0.43
ADCY10 Q96PN6 1/20 0.40
PIK3CG P48736 1/20 0.40
PNMT P11086 1/20 0.38
BACE1 P56817 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
F2 P00734 1/20 0.36
MAP4K4 O95819 1/20 0.36
GLA P06280 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR6 P50406 1/20 0.36
CYP3A4 P08684 1/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL6932736 0.73 F2 (0.63) BACE1F2
SCHEMBL21223885 0.71 MPO (0.55) MPOPNPADCY10PNMTBACE1
SCHEMBL18586524 0.69 MPO (0.55) MPOLMNAPNMTTAAR1HTR6
SCHEMBL235294 0.67 PNMT (0.46) MPOLMNACYP1A2MAPTPNMT
SCHEMBL2754061 0.67 PNMT (0.46) MPOLMNACYP1A2MAPTPNMT
SCHEMBL29559510 0.67 MPO (0.50) MPOPNPADCY10PNMTBACE1
SCHEMBL5718444 0.66 PNMT (0.52) MPOMAPTALOX15MAPK1PNP
SCHEMBL11778511 0.66 PNMT (0.52) MPOALOX15PNPADCY10PNMT
SCHEMBL3300276 0.65 PNMT (0.65) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL10984833 0.65 LMNA (0.43) LMNACYP1A2MAPTTHRBALOX15

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-20030225131-A1 Thrombin inhibitors BURGEY CHRISTOPHER S (US) 2003-12-04 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-20030225131-A1 Thrombin inhibitors TFPI, SERPINC1, PLAT MPO 114/4885LMNA 4157/4885CYP1A2 3346/4885

“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.