SCHEMBL7088697

SCHEMBL7088697

Cc1ccccc1C(=O)Nc1ccc(Cl)cc1C(=O)Oc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 1/20 0.60
ALDH1A1 P00352 4/20 0.59
HPGD P15428 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SERPINE1 P05121 3/20 0.52
MAPT P10636 5/20 0.51
LMNA P02545 3/20 0.51
NPSR1 Q6W5P4 2/20 0.50
NPC1 O15118 2/20 0.50
HTT P42858 2/20 0.50
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
TP53 P04637 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
PNLIP P16233 1/20 0.48
L3MBTL1 Q9Y468 1/20 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
SCHEMBL7089912 0.84 KCNMA1 (0.68) KCNMA1ALDH1A1HPGDSERPINE1MAPT
SCHEMBL28472225 0.80 KCNMA1 (0.65) KCNMA1ALDH1A1HPGDMEN1KMT2A
SCHEMBL12225787 0.79 KCNMA1 (0.72) KCNMA1ALDH1A1HPGDMEN1KMT2A
SCHEMBL7091591 0.77 ALDH1A1 (0.50) KCNMA1ALDH1A1HPGDMEN1KMT2A
SCHEMBL3784326 0.77 KDM4E (0.62) ALDH1A1HPGDMEN1KMT2ASERPINE1
SCHEMBL2702919 0.76 SERPINE1 (0.66) KCNMA1ALDH1A1SERPINE1MAPTLMNA
SCHEMBL3786372 0.76 TSHR (0.50) ALDH1A1HPGDMEN1KMT2ASERPINE1
SCHEMBL8422260 0.75 MAPT (0.61) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL420688 0.75 SLC6A4 (0.62) ALDH1A1HPGDSERPINE1MAPTLMNA
SCHEMBL1254116 0.75 KMT2A (0.64) ALDH1A1HPGDMEN1KMT2AMAPT

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 KCNMA1 2149/4885ALDH1A1 33/4885HPGD 964/4885
US-20030171422-A1 New nitromethyl ketones, process for preparing them and compositions containing them AKR1B1, AKR1A1, AKR1C1 KCNMA1 975/4885ALDH1A1 63/4885HPGD 231/4885

“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.