SCHEMBL12435955

SCHEMBL12435955

CCC(=O)Nc1cc(C(=O)Nc2ccnc(O)c2)ccc1CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
BRAF P15056 2/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.40
TSHR P16473 2/20 0.40
NPC1 O15118 2/20 0.40
TP53 P04637 2/20 0.40
RAB9A P51151 2/20 0.40
ROCK2 O75116 1/20 0.40
ADORA2A P29274 1/20 0.40
MAPK14 Q16539 1/20 0.39
CYP2C9 P11712 1/20 0.38
LMNA P02545 2/20 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
SCHEMBL12435954 0.81 KMT2A (0.55) SMN1; SMN2KMT2AMEN1CYP1A2CYP3A4
SCHEMBL12435965 0.81 KMT2A (0.56) SMN1; SMN2KMT2AMEN1CYP1A2CYP3A4
SCHEMBL12436030 0.79 MEN1 (0.58) SMN1; SMN2KMT2AMEN1CYP1A2CYP3A4
SCHEMBL12435962 0.77 MAPT (0.49) SMN1; SMN2KMT2AMEN1CYP1A2MAPT
SCHEMBL12435969 0.77 MAPKAPK2 (0.43) SMN1; SMN2KMT2AMEN1MAPTMAPK1
SCHEMBL12436031 0.77 MAPK1 (0.57) SMN1; SMN2KMT2AMEN1CYP1A2CYP3A4
SCHEMBL12435951 0.76 RXFP1 (0.60) SMN1; SMN2KMT2AMEN1TSHRNPC1
SCHEMBL12428714 0.76 MAPT (0.45) SMN1; SMN2KMT2AMEN1CYP1A2CYP3A4
SCHEMBL12435909 0.75 ATM (0.52) SMN1; SMN2KMT2AMEN1CYP3A4MAPT
SCHEMBL12436028 0.75 MAPT (0.58) SMN1; SMN2KMT2AMEN1CYP1A2CYP3A4

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 SMN1; SMN2 4598/4885BRAF 3391/4885JAK2 869/4885

“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.