SCHEMBL6638646

SCHEMBL6638646

O=C(NC[C@@H]1CCC[C@H](NC(=O)c2c(-c3c(F)cccc3Cl)noc2-c2ccccc2)C1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 4/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 2/20 0.44
ABCC1 P33527 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 1/20 0.41
PPARG P37231 1/20 0.41
NCOA2 Q15596 1/20 0.41
NPC1 O15118 1/20 0.40
GHSR Q92847 1/20 0.40
KAT8 Q9H7Z6 1/20 0.40

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 0.91 ALDH1A1 (0.47) ALDH1A1LMNAABCC1SMN1; SMN2POLB
SCHEMBL6636462 0.90 SMN1; SMN2 (0.55) ALDH1A1LMNAABCC1SMN1; SMN2POLB
SCHEMBL6793097 0.87 ALDH1A1 (0.45) ALDH1A1LMNAABCC1SMN1; SMN2POLB
SCHEMBL6802163 0.87 KMT2A (0.43) ALDH1A1LMNAABCC1SMN1; SMN2POLB
SCHEMBL6796622 0.86 ALDH1A1 (0.44) ALDH1A1LMNAABCC1SMN1; SMN2POLB
SCHEMBL6793704 0.85 SMN1; SMN2 (0.57) ALDH1A1LMNASMN1; SMN2POLBKMT2A
SCHEMBL6644363 0.84 GHSR (0.45) ALDH1A1LMNAABCC1SMN1; SMN2POLB
SCHEMBL6797450 0.81 NPSR1 (0.44) ALDH1A1LMNAABCC1SMN1; SMN2POLB
SCHEMBL6642518 0.79 SMN1; SMN2 (0.59) ALDH1A1LMNASMN1; SMN2POLBKMT2A
SCHEMBL6642563 0.79 KMT2A (0.54) ALDH1A1LMNASMN1; SMN2POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1250340-B1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 LILLY CO ELI (US) 2004-11-17 EP disclosed
US-20040176405-A1 Methods and compounds for inhibitting MRP1 KROIN JULIAN (US) 2004-09-09 US disclosed
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 (2 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-20040176405-A1 Methods and compounds for inhibitting MRP1 ABCC1, ABCB11, ABCB1 RORC 3816/4885ALDH1A1 208/4885LMNA 2547/4885
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ABCC1, ABCB11, ABCB1 RORC 3353/4885ALDH1A1 264/4885LMNA 2226/4885

“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.