SCHEMBL9605431

SCHEMBL9605431

Oc1ccc(/C=C/c2ccccn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.64
MEN1 O00255 5/20 0.64
RAB9A P51151 4/20 0.64
NPC1 O15118 3/20 0.64
ATM Q13315 1/20 0.64
PTGS2 P35354 2/20 0.59
PTGS1 P23219 1/20 0.59
ALDH1A1 P00352 3/20 0.54
LMNA P02545 3/20 0.54
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
HPGD P15428 2/20 0.51
CASP3 P42574 1/20 0.51
HTT P42858 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
APP P05067 2/20 0.49
CD74 P04233 1/20 0.47
MIF P14174 1/20 0.47

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
SCHEMBL7802342 1.00 KMT2A (0.64) KMT2AMEN1RAB9ANPC1ATM
SCHEMBL28595722 0.89 KMT2A (0.80) KMT2AMEN1RAB9ANPC1ATM
SCHEMBL29419010 0.89 KMT2A (0.80) KMT2AMEN1RAB9ANPC1ATM
SCHEMBL8786664 0.84 CYP1A2 (0.56) KMT2AMEN1RAB9ANPC1ATM
SCHEMBL29389283 0.83 MEN1 (0.76) KMT2AMEN1RAB9ANPC1ATM
SCHEMBL30195162 0.83 MEN1 (0.76) KMT2AMEN1RAB9ANPC1ATM
SCHEMBL461986 0.83 MEN1 (0.76) KMT2AMEN1RAB9ANPC1ATM
SCHEMBL461985 0.83 MEN1 (0.76) KMT2AMEN1RAB9ANPC1ATM
SCHEMBL28360807 0.83 F3 (0.65) KMT2AMEN1RAB9ANPC1ATM
SCHEMBL28594165 0.82 RAB9A (0.61) KMT2AMEN1RAB9ANPC1ATM

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 4 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-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
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 KMT2A 422/4885MEN1 2682/4885RAB9A 2530/4885
US-20120135091-A1 METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES HSF1, SIRT1, SIRT2 KMT2A 2312/4885MEN1 3348/4885RAB9A 1630/4885

“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.