SCHEMBL7218616

SCHEMBL7218616

COC(=O)c1ccc(C(=O)NCC2CCCC2(C)C)cc1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MAPT P10636 2/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 2/20 0.42
MMP13 P45452 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL7213350 0.86 KMT2A (0.43) KMT2ASMN1; SMN2HPGDL3MBTL1NPC1
SCHEMBL7213367 0.86 KMT2A (0.43) KMT2AMAPTSMN1; SMN2HPGDL3MBTL1
SCHEMBL7219875 0.83 KMT2A (0.41) KMT2ASMN1; SMN2HPGDL3MBTL1NPC1
SCHEMBL7213372 0.82 NPC1 (0.44) KMT2AMAPTSMN1; SMN2HPGDNPC1
SCHEMBL7213373 0.76 MAPK14 (0.36) KMT2ASMN1; SMN2HPGDNPC1MEN1
SCHEMBL11711957 0.74 PRKCG (0.50) KMT2AMAPTPOLBSMN1; SMN2HPGD
Methyl Benzoate SCHEMBL28309417 0.71 TSHR (0.58) KMT2ASMN1; SMN2HPGDMEN1KDM4E
SCHEMBL5561237 0.69 POLB (0.74) KMT2AMAPTPOLBHPGDNPC1
SCHEMBL16583908 0.69 NPC1 (0.63) KMT2AMAPTSMN1; SMN2HPGDNPC1
SCHEMBL7219859 0.69 HPGD (0.43) KMT2AMAPTSMN1; SMN2HPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6624309-B1 Administering 4-heterocyclicbenzamide derivative BRISTOL-MYERS SQUIBB COMPANY 2003-09-23 US disclosed
US-20020137968-A1 Benzoic acid derivatives and related compounds as antiarrhythmic agents LLOYD JOHN (US) 2002-09-26 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-20020137968-A1 Benzoic acid derivatives and related compounds as antiarrhythmic agents SCN1A, SCN1B, NR0B1 KMT2A 2962/4885MAPT 4755/4885POLB 2985/4885

“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.