SCHEMBL6806595

SCHEMBL6806595

CC(C)Oc1ccc(C(=O)Nc2cnc3c(c2)CN(C)CC3(C)C)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.46
MAPT P10636 8/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
NR4A1 P22736 1/20 0.45
HSD17B10 Q99714 1/20 0.45
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
NPC1 O15118 2/20 0.41
MAPK1 P28482 1/20 0.41
HTR1D P28221 2/20 0.40
HTR1B P28222 2/20 0.40
HTR2A P28223 2/20 0.40
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 2/20 0.38
TP53 P04637 1/20 0.38

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
Hydrochloric Acid SCHEMBL6805840 0.99 PLAU (0.45) PLAUMAPTSMN1; SMN2ALOX15ALOX12
SCHEMBL6806932 0.91 KMT2A (0.49) MAPTSMN1; SMN2ALOX15ALOX12NR4A1
Hydrochloric Acid SCHEMBL6809944 0.91 KMT2A (0.48) MAPTSMN1; SMN2ALOX15ALOX12NR4A1
SCHEMBL6805569 0.90 MAPT (0.58) PLAUMAPTSMN1; SMN2ALOX15ALOX12
SCHEMBL6807079 0.90 KCNQ3 (0.43) PLAUMAPTSMN1; SMN2ALOX15ALOX12
SCHEMBL6806994 0.90 KCNQ3 (0.47) PLAUMAPTSMN1; SMN2ALOX15ALOX12
Hydrochloric Acid SCHEMBL6802790 0.89 KCNQ3 (0.46) PLAUMAPTSMN1; SMN2ALOX15ALOX12
Hydrochloric Acid SCHEMBL7020856 0.89 MAPT (0.57) PLAUMAPTSMN1; SMN2ALOX15ALOX12
Hydrochloric Acid SCHEMBL6918109 0.89 KCNQ3 (0.42) PLAUMAPTSMN1; SMN2ALOX15ALOX12
SCHEMBL6806527 0.87 XDH (0.43) KCNQ3KCNQ2ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1084122-B1 TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2003-10-22 EP claimed
US-20020143029-A1 Tetrahydronaphthyridinyl-carboxamides having anti-convulsant activity SMITHKLINE BEECHAM P.L.C. 2002-10-03 US claimed
US-6410555-B1 ANTIEPILEPTIC AGENTS; HEADACHES SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US claimed
US-6762192-B2 USEFUL IN THERAPY AND PROPHYLAXIS OF EPILEPSY, MIGRAINE, AND OTHER DISORDERS SMITHKLINE BEECHUM P.L.C. (GB) 2004-07-13 US disclosed
EP-1084122-B1 TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2003-10-22 EP disclosed
US-20020143029-A1 Tetrahydronaphthyridinyl-carboxamides having anti-convulsant activity SMITHKLINE BEECHAM P.L.C. 2002-10-03 US disclosed
US-6410555-B1 ANTIEPILEPTIC AGENTS; HEADACHES SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 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-20020143029-A1 Tetrahydronaphthyridinyl-carboxamides having anti-convulsant activity CNR1, SCN1B, CNR2 PLAU 2680/4885MAPT 2605/4885SMN1; SMN2 953/4885

“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.