SCHEMBL6793704

SCHEMBL6793704

Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1CCC(CNC(=O)c2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 4/20 0.56
ALDH1A1 P00352 5/20 0.56
GHSR Q92847 1/20 0.54
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
ATM Q13315 1/20 0.52
NPC1 O15118 1/20 0.52
MAPT P10636 2/20 0.51
ALOX15 P16050 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 1/20 0.50
HSD17B10 Q99714 1/20 0.49

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
SCHEMBL6636462 0.95 SMN1; SMN2 (0.55) SMN1; SMN2LMNAALDH1A1GHSRKMT2A
SCHEMBL6642518 0.93 SMN1; SMN2 (0.59) SMN1; SMN2LMNAALDH1A1GHSRKMT2A
SCHEMBL6639832 0.91 ALDH1A1 (0.55) SMN1; SMN2LMNAALDH1A1GHSRKMT2A
SCHEMBL6639829 0.91 ALDH1A1 (0.55) SMN1; SMN2LMNAALDH1A1GHSRKMT2A
SCHEMBL6797174 0.88 KDM4E (0.58) SMN1; SMN2LMNAALDH1A1GHSRKMT2A
SCHEMBL6796390 0.88 PTGS2 (0.53) SMN1; SMN2LMNAALDH1A1GHSRKMT2A
SCHEMBL6790153 0.87 ALDH1A1 (0.47) SMN1; SMN2LMNAALDH1A1GHSRKMT2A
SCHEMBL6638254 0.87 KMT2A (0.55) SMN1; SMN2LMNAALDH1A1GHSRKMT2A
SCHEMBL6638257 0.87 KMT2A (0.55) SMN1; SMN2LMNAALDH1A1GHSRKMT2A
SCHEMBL6639122 0.86 SMN1; SMN2 (0.54) SMN1; SMN2LMNAALDH1A1GHSRKMT2A

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-6743794-B2 MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE ELI LILLY AND COMPANY 2004-06-01 US disclosed
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ELI LILLY AND COMPANY 2003-05-29 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-20030100576-A1 Methods and compounds for inhibiting mrp1 ABCC1, ABCB11, ABCB1 SMN1; SMN2 4221/4885LMNA 2226/4885ALDH1A1 264/4885

“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.