SCHEMBL3590148

SCHEMBL3590148

O=C(c1ccccc1)c1ccc[c]n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 3/20 0.48
CNR2 P34972 1/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
HPGD P15428 2/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SRD5A2 P31213 1/20 0.42
AKR1C3 P42330 1/20 0.39
CES2 O00748 2/20 0.38
CES1 P23141 2/20 0.38
DAO P14920 1/20 0.38
TSHR P16473 1/20 0.38
NAPRT Q6XQN6 1/20 0.38

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
SCHEMBL10796988 0.80 SRD5A2 (0.49) CNR2SRD5A2CES2CES1
SCHEMBL5604467 0.73 KMT2A (0.63) KMT2AALDH1A1CNR2MEN1MAPT
SCHEMBL11800722 0.72 KMT2A (0.52) KMT2AALDH1A1CNR2MEN1MAPT
Hydrochloric Acid SCHEMBL7145613 0.69 KMT2A (0.64) KMT2AALDH1A1CNR2MEN1MAPT
SCHEMBL398165 0.69 KMT2A (1.00) KMT2AALDH1A1CNR2MEN1MAPT
SCHEMBL29373829 0.69 KMT2A (1.00) KMT2AALDH1A1CNR2MEN1MAPT
SCHEMBL128329 0.69 MAPK1 (0.42) ALDH1A1MAPTRAB9ANPC1SMN1; SMN2
Benzophenone SCHEMBL6061130 0.68 ALDH1A1 (1.00) KMT2AALDH1A1MEN1MAPTRAB9A
Benzophenone SCHEMBL30537001 0.68 ALDH1A1 (1.00) KMT2AALDH1A1MEN1MAPTRAB9A
Benzophenone SCHEMBL28491203 0.68 ALDH1A1 (1.00) KMT2AALDH1A1MEN1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022559-A1 BISOXIMES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2010-01-28 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-20100022559-A1 BISOXIMES AS FUNGICIDES DDT, FHIT, CYP4X1 KMT2A 900/4885ALDH1A1 2634/4885CNR2 3468/4885

“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.