SCHEMBL11743247

SCHEMBL11743247

Cc1ccc(C=NN=Cc2ccc(C)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 1.00
RAB9A P51151 1/20 1.00
SMN1; SMN2 Q16637 1/20 1.00
GRIN2D O15399 3/20 0.64
GRIN3B O60391 3/20 0.64
GRIN1 Q05586 3/20 0.64
GRIN2A Q12879 3/20 0.64
GRIN2B Q13224 3/20 0.64
GRIN2C Q14957 3/20 0.64
GRIN3A Q8TCU5 3/20 0.64
ALDH1A1 P00352 2/20 0.55
MAPT P10636 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.52
LMNA P02545 1/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
CYP2A6 P11509 1/20 0.50
RRM1 P23921 1/20 0.50

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
SCHEMBL2608307 1.00 NPC1 (1.00) NPC1RAB9ASMN1; SMN2GRIN2DGRIN3B
SCHEMBL7793323 0.88 NPC1 (0.77) NPC1RAB9ASMN1; SMN2GRIN2DGRIN3B
SCHEMBL19036447 0.88 NPC1 (0.77) NPC1RAB9ASMN1; SMN2GRIN2DGRIN3B
SCHEMBL7793321 0.88 NPC1 (0.77) NPC1RAB9ASMN1; SMN2GRIN2DGRIN3B
SCHEMBL10942218 0.86 NPC1 (0.74) NPC1RAB9ASMN1; SMN2GRIN2DGRIN3B
SCHEMBL22995747 0.84 NPC1 (0.71) NPC1RAB9ASMN1; SMN2GRIN2DGRIN3B
SCHEMBL22198249 0.84 SMN1; SMN2 (0.71) NPC1RAB9ASMN1; SMN2GRIN2DGRIN3B
SCHEMBL22198250 0.84 NPC1 (0.71) NPC1RAB9ASMN1; SMN2GRIN2DGRIN3B
SCHEMBL7793269 0.82 NPC1 (0.68) NPC1RAB9ASMN1; SMN2GRIN2DGRIN3B
SCHEMBL7793264 0.82 NPC1 (0.68) NPC1RAB9ASMN1; SMN2GRIN2DGRIN3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4015014-A Method for the use of aryl azines as anthelmintics THE DOW CHEMICAL COMPANY (US) 1977-03-29 US claimed
US-7947802-B2 Benzoxazine monomers, polymers and compositions CASE WESTERN RESERVE UNIVERSITY (US) 2011-05-24 US disclosed
US-20090069533-A1 Benzoxazine monomers, polymers and compositions CASE WESTERN RESERVE UNIVERSITY 2009-03-12 US disclosed
US-4015014-A Method for the use of aryl azines as anthelmintics THE DOW CHEMICAL COMPANY (US) 1977-03-29 US disclosed
US-3939147-A Novel 1,2-diaza-1,5,9-cyclo dodecatrienes and 1,2-diaza-1-cyclododecenes CIBA-GEIGY CORPORATION (US) 1976-02-17 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-20090069533-A1 Benzoxazine monomers, polymers and compositions MUS81, DDX42, BRAP NPC1 4884/4885RAB9A 4809/4885SMN1; SMN2 2004/4885

“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.