SCHEMBL7218642

SCHEMBL7218642

CCCCC1=CN(c2ccc(C(=O)NCC3CCCC3(C)C)cc2)NN1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
SLC6A5 Q9Y345 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7218555 0.74 HDAC3 (0.37) SMN1; SMN2
SCHEMBL7218637 0.73 DDX3X (0.44) RAB9A
SCHEMBL7219299 0.73 MAPK14 (0.37)
SCHEMBL7213367 0.73 KMT2A (0.43) SMN1; SMN2LMNAMAPTHPGDKMT2A
SCHEMBL7213350 0.73 KMT2A (0.43) SMN1; SMN2HPGDKMT2A
SCHEMBL7213162 0.73 RARB (0.47) POLBMAPTHPGDTSHRTP53
SCHEMBL7213365 0.72 SPHK1 (0.53) SLC6A5
SCHEMBL7213178 0.72 MAPK14 (0.33) SMN1; SMN2
SCHEMBL7213379 0.72 NPC1 (0.45) LMNAHPGDRAB9ATSHRTP53
SCHEMBL7213194 0.72 MAPK14 (0.52) RAB9A

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 HSD17B10 695/4885SMN1; SMN2 917/4885SLC6A5 3948/4885

“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.