SCHEMBL15944874

SCHEMBL15944874

CC/C(Cl)=N/c1cccc(C(C)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 4/20 0.44
NOS3 P29474 2/20 0.44
NOS2 P35228 2/20 0.44
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
MAOB P27338 3/20 0.40
MAOA P21397 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
HPGD P15428 2/20 0.39
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
USP2 O75604 1/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
TSHR P16473 1/20 0.38
MCL1 Q07820 1/20 0.38
NOX1 Q9Y5S8 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL15947209 0.83 NOS1 (0.47) NOS1NOS3NOS2ALDH1A1KMT2A
SCHEMBL15944872 0.79 KMT2A (0.46) NOS1NOS3NOS2ALDH1A1KMT2A
SCHEMBL6930691 0.76 HTR3E (0.56) NOS1NOS3NOS2
SCHEMBL15947207 0.75 KMT2A (0.49) NOS1NOS3NOS2ALDH1A1KMT2A
SCHEMBL47337 0.73 KMT2A (0.49) NOS1ALDH1A1KMT2AMEN1MAOB
SCHEMBL7053886 0.73 ALDH1A1 (0.47) NOS1NOS3NOS2ALDH1A1KMT2A
SCHEMBL7666496 0.73 NOS1 (0.48) NOS1NOS3NOS2ALDH1A1KMT2A
SCHEMBL7666500 0.73 NOS1 (0.48) NOS1NOS3NOS2ALDH1A1KMT2A
SCHEMBL28545671 0.70 KMT2A (0.51) NOS1ALDH1A1KMT2AMEN1MAPT
SCHEMBL28655754 0.70 MAPT (0.58) ALDH1A1KMT2AMEN1MAOBMAPT

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-20140228579-A1 METHOD FOR THE CATALYTIC REDUCTION OF ACID CHLORIDES AND IMIDOYL CHLORIDES Brock Unviersity (CA) 2014-08-14 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-20140228579-A1 METHOD FOR THE CATALYTIC REDUCTION OF ACID CHLORIDES AND IMIDOYL CHLORIDES CA6, RUVBL2, HACL2 NOS1 2219/4885NOS3 612/4885NOS2 1337/4885

“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.