SCHEMBL6805923

SCHEMBL6805923

CC(C)c1ccc(C(=O)Nc2cnc3c(c2)CNCC3(C)C)cc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.37
GAA P10253 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSP90AA1 P07900 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 2/20 0.36
MAPK1 P28482 1/20 0.36
MELK Q14680 2/20 0.35
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
MTOR P42345 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
NR4A1 P22736 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL6807376 0.84 KMT2A (0.48) MAPTRAB9AKDM4EALDH1A1NPC1
Hydrochloric Acid SCHEMBL6802174 0.83 KMT2A (0.47) MAPTRAB9AKDM4EALDH1A1NPC1
SCHEMBL6810417 0.80 KCNQ3 (0.43) MAPTGAARAB9AALDH1A1NPC1
Hydrochloric Acid SCHEMBL6806383 0.79 KCNQ3 (0.42) MAPTGAARAB9AALDH1A1NPC1
SCHEMBL6806622 0.78 S1PR3 (0.45) MAPTKDM4EMEN1KMT2AHTT
SCHEMBL6916686 0.78 NPC1 (0.52) MAPTRAB9AKDM4EALDH1A1NPC1
SCHEMBL6806456 0.78 KCNQ3 (0.55) RAB9AALDH1A1NPC1MAPK1MEN1
Hydrochloric Acid SCHEMBL6805319 0.77 KCNQ3 (0.54) RAB9AALDH1A1NPC1MAPK1MEN1
Hydrochloric Acid SCHEMBL6807023 0.77 NPC1 (0.51) MAPTRAB9AKDM4EALDH1A1NPC1
SCHEMBL6806448 0.76 RAF1 (0.46)

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 MAPT 2605/4885GAA 4585/4885RAB9A 4276/4885

“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.