SCHEMBL12435965

SCHEMBL12435965

CCC(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1CO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 2/20 0.56
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
SMN1; SMN2 Q16637 6/20 0.50
RAB9A P51151 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 1/20 0.50
MAPT P10636 3/20 0.49
MAPK1 P28482 2/20 0.49
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
AHR P35869 1/20 0.49
GAA P10253 1/20 0.49
NPC1 O15118 2/20 0.48
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL12435954 0.88 KMT2A (0.55) KMT2AMEN1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL12436030 0.87 MEN1 (0.58) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL12436031 0.85 MAPK1 (0.57) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL12435951 0.85 RXFP1 (0.60) KMT2AMEN1SMN1; SMN2RAB9AALDH1A1
SCHEMBL12436028 0.83 MAPT (0.58) KMT2AMEN1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL12435970 0.81 TRPV1 (0.54) KMT2AMEN1SMN1; SMN2RAB9ANPC1
SCHEMBL12435955 0.81 SMN1; SMN2 (0.42) KMT2AMEN1CYP1A2CYP2C9SMN1; SMN2
SCHEMBL12435909 0.81 ATM (0.52) KMT2AMEN1CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL12435962 0.81 MAPT (0.49) KMT2AMEN1CYP1A2CYP2C9CYP2C19
SCHEMBL12428714 0.80 MAPT (0.45) KMT2AMEN1CYP1A2CYP2C9SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use Institute of Medicinal Biotechnology Academy of Medical Science (CN) 2011-07-21 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-20110178108-A1 Group of amino substituted benzoyl derivatives and their preparation and their use CUL3, APOBEC3G, BRPF3 KMT2A 964/4885MEN1 4747/4885CYP1A2 2309/4885

“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.