SCHEMBL6489380

SCHEMBL6489380

Cc1ccc(C2=C(C(=O)Nc3ccc(OCCc4csc(NC(=O)O)n4)cc3)CCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
MAPT P10636 6/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 2/20 0.40
POLB P06746 2/20 0.39
CTPS1 P17812 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
GAA P10253 1/20 0.38
ALDH1A1 P00352 1/20 0.38
FFAR4 Q5NUL3 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HTT P42858 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL6490483 0.94 POLB (0.42) SMN1; SMN2MAPTTP53POLBCTPS1
SCHEMBL6493019 0.89 MAPK14 (0.37) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL6491900 0.89 SMN1; SMN2 (0.58) SMN1; SMN2MAPTTP53POLBNPC1
SCHEMBL6487913 0.84 CHRNB2 (0.43) TP53NPC1RAB9AFFAR4KMT2A
SCHEMBL6490926 0.83 MAPT (0.37) SMN1; SMN2MAPTTP53POLBNPC1
SCHEMBL6492522 0.83 SMN1; SMN2 (0.47) SMN1; SMN2MAPTCYP2D6CYP2C19TP53
SCHEMBL6489534 0.82 SMN1; SMN2 (0.43) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2D6
SCHEMBL6499119 0.82 TP53 (0.45) SMN1; SMN2MAPTTP53POLBHTT
SCHEMBL6503188 0.81 NPC1 (0.45) SMN1; SMN2MAPTTP53NPC1RAB9A
SCHEMBL6501863 0.81 SMN1; SMN2 (0.43) SMN1; SMN2MAPTCYP1A2CYP3A4CYP2D6

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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 SMN1; SMN2 1921/4885MAPT 4202/4885CYP1A2 115/4885

“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.