SCHEMBL3208835

SCHEMBL3208835

CCOC(=O)c1cccc(NC(=O)c2ccc(Cl)c(-c3ccc(-c4ccccc4)cc3)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.65
CYP1A2 P05177 1/20 0.65
NPC1 O15118 8/20 0.57
SMN1; SMN2 Q16637 8/20 0.57
MAPT P10636 7/20 0.57
LMNA P02545 3/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPK1 P28482 2/20 0.57
POLB P06746 1/20 0.56
PKM P14618 1/20 0.56
HPGD P15428 1/20 0.54
GAA P10253 1/20 0.54
PARP1 P09874 1/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
KDM4E B2RXH2 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
ABCB1 P08183 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
SCHEMBL3209227 0.90 RAB9A (0.65) RAB9ACYP1A2NPC1SMN1; SMN2MAPT
SCHEMBL774860 0.89 RAB9A (0.64) RAB9ACYP1A2NPC1SMN1; SMN2MAPT
SCHEMBL31336539 0.84 RAB9A (0.63) RAB9ACYP1A2NPC1SMN1; SMN2MAPT
SCHEMBL6793571 0.82 RAB9A (0.76) RAB9ACYP1A2NPC1SMN1; SMN2MAPT
SCHEMBL3208628 0.80 SMN1; SMN2 (0.55) RAB9ACYP1A2NPC1SMN1; SMN2MAPT
SCHEMBL28007798 0.80 RAB9A (0.73) RAB9ACYP1A2NPC1SMN1; SMN2MAPT
SCHEMBL8263187 0.79 IL2 (0.64) RAB9ACYP1A2NPC1SMN1; SMN2MAPT
SCHEMBL3199806 0.79 PTPN1 (0.67) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL775160 0.79 MAPT (0.56) RAB9ANPC1SMN1; SMN2MAPTLMNA
SCHEMBL2011651 0.78 RAB9A (0.77) RAB9ANPC1SMN1; SMN2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US claimed
US-7683097-B2 Topoisomerase inhibitors Propharmacon Inc. (US) 2010-03-23 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 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-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B RAB9A 3552/4885CYP1A2 1990/4885NPC1 2916/4885

“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.