SCHEMBL6639610

SCHEMBL6639610

COC(=O)C(NC1Cc2ccccc2C1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM7 Q14831 3/20 0.52
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.47
HRH3 Q9Y5N1 1/20 0.42
LMNA P02545 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ROCK2 O75116 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
SLC6A3 Q01959 4/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41

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
SCHEMBL75350 0.86 KMT2A (0.53) KMT2AMEN1LMNAALDH1A1SLC6A3
SCHEMBL6644702 0.84 GRM7 (0.54) GRM7HRH3ALDH1A1MTNR1AMTNR1B
SCHEMBL6794727 0.81 GRM7 (0.51) GRM7KMT2AMEN1HRH3ROCK2
SCHEMBL15270572 0.81 KMT2A (0.47) KMT2AMEN1LMNAALDH1A1SLC6A3
SCHEMBL15270318 0.81 KMT2A (0.47) KMT2AMEN1LMNAALDH1A1SLC6A3
Hydrochloric Acid SCHEMBL31556294 0.80 MTNR1A (0.60) MTNR1AMTNR1B
SCHEMBL11005581 0.80 KDM1A (0.54) GRM7KMT2AMEN1HRH3LMNA
Hydrochloric Acid SCHEMBL11005579 0.78 KDM1A (0.52) GRM7KMT2AMEN1HRH3LMNA
Hydrochloric Acid SCHEMBL28701894 0.76 SLC6A3 (0.47) KMT2AMEN1LMNAALDH1A1SLC6A3
SCHEMBL28701897 0.76 KMT2A (0.43) KMT2AMEN1LMNAALDH1A1SLC6A3

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 6 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
EP-1250340-A1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-10-23 EP disclosed
WO-2001046199-A1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-06-28 WO 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 GRM7 3457/4885KMT2A 4688/4885MEN1 2632/4885
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ABCC1, ABCB11, ABCB1 GRM7 3351/4885KMT2A 4622/4885MEN1 3042/4885

“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.