SCHEMBL9605432

SCHEMBL9605432

Cc1ccc(/C=C/c2ccncn2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.45
RAB9A P51151 6/20 0.45
KDM4E B2RXH2 5/20 0.45
NPC1 O15118 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
HPGD P15428 3/20 0.45
CYP1A2 P05177 2/20 0.45
POLB P06746 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 5/20 0.43
GRM4 Q14833 1/20 0.43
FGF23 Q9GZV9 1/20 0.43
RELA Q04206 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 2/20 0.41
FBP1 P09467 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL27588373 1.00 NFE2L2 (0.45) NFE2L2RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL27606199 0.81 ALDH1A1 (0.42) RAB9AKDM4ENPC1SMN1; SMN2HPGD
SCHEMBL10495644 0.81 APP (0.48) RAB9AKDM4ENPC1SMN1; SMN2HPGD
SCHEMBL30299480 0.81 KDM4E (0.57) RAB9AKDM4ENPC1SMN1; SMN2HPGD
SCHEMBL10495641 0.81 APP (0.48) RAB9AKDM4ENPC1SMN1; SMN2HPGD
SCHEMBL27874724 0.80 MAPT (0.70) RAB9AKDM4ENPC1SMN1; SMN2LMNA
SCHEMBL19076183 0.80 CYP1A2 (0.68) NFE2L2RAB9AKDM4ENPC1SMN1; SMN2
SCHEMBL6333009 0.80 MEN1 (0.64) RAB9AKDM4ENPC1SMN1; SMN2HPGD
SCHEMBL6333011 0.80 MEN1 (0.64) RAB9AKDM4ENPC1SMN1; SMN2HPGD
SCHEMBL8048256 0.79 NPC1 (0.59) NFE2L2RAB9AKDM4ENPC1SMN1; SMN2

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-20120135091-A1 METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES US ARMY, SECRETARY OF THE ARMY 2012-05-31 US disclosed
US-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 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-20100168084-A1 Therapeutic compounds and related methods of use EP300, KAT2A, KAT6B NFE2L2 3734/4885RAB9A 2530/4885KDM4E 1406/4885
US-20120135091-A1 METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES HSF1, SIRT1, SIRT2 NFE2L2 95/4885RAB9A 1630/4885KDM4E 1777/4885

“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.