SCHEMBL9986010

SCHEMBL9986010

O=c1oc(-c2ccccc2Br)nc2cc(Cl)ccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.72
C1R P00736 10/20 0.70
KMT2A Q03164 1/20 0.70
ELANE P08246 2/20 0.67
MAPT P10636 4/20 0.53
ALDH1A1 P00352 3/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PRSS1 P07477 2/20 0.49
CTSG P08311 2/20 0.49
KLK7 P49862 2/20 0.49
KLK14 Q9P0G3 2/20 0.49
KLK5 Q9Y337 2/20 0.49
F2 P00734 1/20 0.48
PLG P00747 1/20 0.48
KLK1 P06870 1/20 0.48
C1S P09871 1/20 0.48
ATM Q13315 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL914556 0.89 C1R (0.72) APEX1C1RKMT2AELANEMAPT
SCHEMBL9984778 0.86 APEX1 (0.76) APEX1C1RKMT2AELANEMAPT
SCHEMBL915740 0.84 APEX1 (1.00) APEX1C1RKMT2AELANEMAPT
SCHEMBL4194349 0.84 APEX1 (0.72) APEX1C1RKMT2AELANEMAPT
SCHEMBL5299192 0.83 C1R (1.00) C1RKMT2AELANEMAPTALDH1A1
SCHEMBL916155 0.82 APEX1 (0.69) APEX1C1RKMT2AELANEMAPT
SCHEMBL9984612 0.81 ELANE (1.00) APEX1C1RKMT2AELANEMAPT
SCHEMBL913800 0.80 APEX1 (0.67) APEX1C1RKMT2AELANEMAPT
SCHEMBL14571464 0.79 APEX1 (0.65) APEX1C1RKMT2AELANEMAPT
SCHEMBL6567250 0.78 APEX1 (0.63) APEX1C1RKMT2AELANEMAPT

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-20110319611-A1 BENZOXAZINONE COMPOUND, METHOD FOR PRODUCING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CHANG GUNG UNIVERSITY (TW) 2011-12-29 US claimed
US-20110319611-A1 BENZOXAZINONE COMPOUND, METHOD FOR PRODUCING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CHANG GUNG UNIVERSITY (TW) 2011-12-29 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-20110319611-A1 BENZOXAZINONE COMPOUND, METHOD FOR PRODUCING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME CYP4X1, CYP2B6, CYP2C19 APEX1 3474/4885C1R 84/4885KMT2A 2397/4885

“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.