SCHEMBL6802163

SCHEMBL6802163

O=C(NCC1CCCC(NC(=O)c2c(-c3c(F)cccc3Cl)noc2N2CCCC2)C1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
MEN1 O00255 2/20 0.43
ABCC1 P33527 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.39
KAT8 Q9H7Z6 1/20 0.39
NPC1 O15118 1/20 0.39
GHSR Q92847 1/20 0.39

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
SCHEMBL6790153 0.89 ALDH1A1 (0.47) KMT2AMEN1ABCC1ALDH1A1LMNA
SCHEMBL6636462 0.88 SMN1; SMN2 (0.55) KMT2AMEN1ABCC1ALDH1A1LMNA
SCHEMBL6638646 0.87 RORC (0.45) KMT2AMEN1ABCC1ALDH1A1LMNA
SCHEMBL6793097 0.85 ALDH1A1 (0.45) KMT2AMEN1ABCC1ALDH1A1LMNA
SCHEMBL6796622 0.84 ALDH1A1 (0.44) KMT2AMEN1ABCC1ALDH1A1LMNA
SCHEMBL6793704 0.83 SMN1; SMN2 (0.57) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL6644363 0.82 GHSR (0.45) KMT2AMEN1ABCC1ALDH1A1LMNA
SCHEMBL6797450 0.81 NPSR1 (0.44) KMT2AMEN1ABCC1ALDH1A1LMNA
SCHEMBL6643385 0.78 KMT2A (0.41) KMT2AMEN1ABCC1ALDH1A1LMNA
SCHEMBL6642518 0.77 SMN1; SMN2 (0.59) KMT2AMEN1ALDH1A1LMNASMN1; SMN2

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 KMT2A 4622/4885MEN1 3042/4885ABCC1 1/4885

“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.