SCHEMBL3738971

SCHEMBL3738971

N/N=C1\CCCc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.60
HPGD P15428 1/20 0.60
G6PC1 P35575 1/20 0.51
CYP2A6 P11509 1/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
ALDH1A1 P00352 6/20 0.48
LMNA P02545 1/20 0.47
MAPT P10636 4/20 0.45
GAA P10253 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44

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
SCHEMBL1327059 1.00 L3MBTL1 (0.60) L3MBTL1HPGDG6PC1CYP2A6MAOA
SCHEMBL2068814 1.00 L3MBTL1 (0.60) L3MBTL1HPGDG6PC1CYP2A6MAOA
SCHEMBL30460772 1.00 L3MBTL1 (0.60) L3MBTL1HPGDG6PC1CYP2A6MAOA
SCHEMBL20457143 0.96 L3MBTL1 (0.66) L3MBTL1HPGDG6PC1CYP2A6MAOA
SCHEMBL20457146 0.87 SMN1; SMN2 (0.51) L3MBTL1HPGDG6PC1CYP2A6MAOA
SCHEMBL11606504 0.87 SMN1; SMN2 (0.51) L3MBTL1HPGDG6PC1CYP2A6MAOA
SCHEMBL11606503 0.87 SMN1; SMN2 (0.51) L3MBTL1HPGDG6PC1CYP2A6MAOA
SCHEMBL10805608 0.83 L3MBTL1 (0.64) L3MBTL1HPGDG6PC1CYP2A6MAOA
SCHEMBL16489779 0.79 L3MBTL1 (0.60) L3MBTL1HPGDG6PC1CYP2A6MAOA
SCHEMBL12786315 0.79 L3MBTL1 (0.60) L3MBTL1HPGDG6PC1CYP2A6MAOA

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
US-20100280092-A1 N-ACYLHYDRAZONE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2010-11-04 US claimed
EP-3544973-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PEST CONTROL AGENTS SUMITOMO CHEMICAL CO (JP) 2021-07-28 EP disclosed
US-10040772-B1 Quinoxaline-fused dibenzosuberane based helicenes and organic electroluminescent device using the same JUST ABOUT SHOWING CO., LTD. (TW) 2018-08-07 US disclosed
US-10040772-B1 Quinoxaline-fused dibenzosuberane based helicenes and organic electroluminescent device using the same JUST ABOUT SHOWING CO., LTD. (TW) 2018-08-07 US disclosed
EP-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 EP disclosed
EP-2502911-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2017-04-05 EP disclosed
US-20100280092-A1 N-ACYLHYDRAZONE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS NEUROSEARCH A/S (DK) 2010-11-04 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 (2 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-20100280092-A1 N-ACYLHYDRAZONE DERIVATIVES USEFUL AS MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA3, CHRNA6, CHRNA2 L3MBTL1 4093/4885HPGD 363/4885G6PC1 2797/4885
US-10040772-B1 Quinoxaline-fused dibenzosuberane based helicenes and organic electroluminescent device using the same HRH4, HRH2, HRH3 L3MBTL1 1743/4885HPGD 1040/4885G6PC1 4280/4885

“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.