SCHEMBL12435951

SCHEMBL12435951

CCC(=O)Nc1cc(C(=O)Nc2cccc(OC)c2)ccc1CO

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.60
RAB9A P51151 8/20 0.58
NPC1 O15118 7/20 0.58
ALDH1A1 P00352 4/20 0.58
TP53 P04637 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
KMT2A Q03164 2/20 0.58
PKM P14618 1/20 0.58
POLB P06746 1/20 0.56
HTT P42858 1/20 0.56
NLRP3 Q96P20 1/20 0.55
KCNK3 O14649 2/20 0.54
KCNK9 Q9NPC2 2/20 0.54
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
TRPV1 Q8NER1 1/20 0.54
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
TSHR P16473 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL12436031 0.87 MAPK1 (0.57) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL17507526 0.86 KMT2A (0.63) RXFP1RAB9ANPC1ALDH1A1TP53
SCHEMBL12435954 0.85 KMT2A (0.55) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL12435965 0.85 KMT2A (0.56) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL12435909 0.81 ATM (0.52) ALDH1A1TP53SMN1; SMN2KMT2APKM
SCHEMBL12435962 0.81 MAPT (0.49) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL12435980 0.81 NAMPT (0.50) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL12435991 0.79 MAPT (0.47) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL12435952 0.79 POLB (0.43) RAB9ANPC1ALDH1A1TP53SMN1; SMN2
SCHEMBL12435956 0.79 SMN1; SMN2 (0.42) RAB9ANPC1ALDH1A1TP53SMN1; 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 RXFP1 4732/4885RAB9A 1374/4885NPC1 3314/4885

“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.