SCHEMBL7084933

SCHEMBL7084933

Cc1ccccc1CC(=O)Nc1ccc(C(=O)Oc2ccccc2)c(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPK1 P28482 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 1/20 0.49
CYP2C19 P33261 1/20 0.49
CASP3 P42574 1/20 0.49
RAB9A P51151 1/20 0.49
SENP8 Q96LD8 1/20 0.49
HSD17B10 Q99714 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49
P2RX4 Q99571 2/20 0.48
KCNJ6 P48051 1/20 0.48
KCNJ5 P48544 1/20 0.48
KCNJ3 P48549 1/20 0.48
TDP1 Q9NUW8 2/20 0.47

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
SCHEMBL7091596 0.86 KMT2A (0.57) MEN1KMT2AP2RX4KCNJ6KCNJ5
SCHEMBL7120711 0.84 MEN1 (0.57) MEN1KMT2AMAPK1CYP1A2CYP2D6
SCHEMBL7088236 0.77 KMT2A (0.50) MEN1KMT2ARAB9AP2RX4KCNJ6
SCHEMBL7090807 0.76 KCNJ5 (0.58) MEN1KMT2AMAPK1P2RX4KCNJ6
SCHEMBL24686766 0.76 MEN1 (0.57) MEN1KMT2AP2RX4KCNJ6KCNJ5
SCHEMBL12323598 0.75 KMT2A (0.67) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL7085535 0.74 ALDH1A1 (0.47) MEN1KMT2AMAPK1HPGDRAB9A
SCHEMBL7085721 0.74 KMT2A (0.57) MEN1KMT2ARAB9AP2RX4KCNJ6
SCHEMBL5623718 0.73 CYP1A2 (0.65) MEN1KMT2ACYP1A2CYP2D6CYP2C9
SCHEMBL7084931 0.72 CYP1A2 (0.38) MEN1KMT2AMAPK1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030171422-A1 New nitromethyl ketones, process for preparing them and compositions containing them MERCK PATENT GMBH (DE) 2003-09-11 US disclosed
US-6559185-B2 Nitromethyl ketone compounds having aldose reduction inhibiting properties and methods for their use MERCK PATENT GMBH (DE) 2003-05-06 US disclosed
US-20030069312-A1 Antidiabetic agents LARDY CLAUDE (FR) 2003-04-10 US disclosed
US-6043281-A ALDOSE REDUCTASE INHIBITORS; TREATMENT OR PREVENTION OF COMPLICATIONS OF DIABETES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-28 US disclosed
US-5932765-A REDUCTASE INHIBITORS MERCK PATENT GESELLSCHAFT MIT (DE) 1999-08-03 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-20030069312-A1 Antidiabetic agents SLC5A1, SLC5A2, GPR119 MEN1 3488/4885KMT2A 3657/4885MAPK1 1514/4885
US-20030171422-A1 New nitromethyl ketones, process for preparing them and compositions containing them AKR1B1, AKR1A1, AKR1C1 MEN1 3542/4885KMT2A 1302/4885MAPK1 1107/4885

“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.