SCHEMBL7196989

SCHEMBL7196989

BrCc1ccc(-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.41
AGTR2 P50052 1/20 0.41
P2RX7 Q99572 3/20 0.38
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 3/20 0.36
TRPA1 O75762 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC6 Q9UBN7 1/20 0.34
DRD4 P21917 1/20 0.33
PTGS2 P35354 2/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL29404889 0.91 AGTR1 (0.50) AGTR1AGTR2P2RX7ALDH1A1HTT
SCHEMBL796 0.91 AGTR1 (0.50) AGTR1AGTR2P2RX7ALDH1A1HTT
SCHEMBL10299418 0.90 POLB (0.39) AGTR1AGTR2ALDH1A1HTTPOLB
SCHEMBL7384556 0.85 AGTR1 (0.42) AGTR1AGTR2P2RX7
SCHEMBL976147 0.85 LMNA (0.47) AGTR1AGTR2P2RX7ALDH1A1HTT
SCHEMBL8791472 0.83 AGTR1 (0.40) AGTR1AGTR2ALDH1A1
SCHEMBL8791998 0.83 AGTR1 (0.40) AGTR1AGTR2PTGS2
SCHEMBL9235857 0.82 MEN1 (0.42) AGTR1AGTR2ALDH1A1HTTPOLB
SCHEMBL29931185 0.82 AGTR1 (0.44) AGTR1AGTR2P2RX7ALDH1A1HTT
SCHEMBL588221 0.82 AGTR1 (0.44) AGTR1AGTR2P2RX7ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268494-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS Merck Frosst Canada & Co. (CA) 2003-01-02 EP disclosed
US-6498151-B2 PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS MERCK FROSST CANADA & CO. (CA) 2002-12-24 US disclosed
EP-0685470-B1 Benzene derivatives and pharmaceutical composition KUREHA CHEMICAL IND CO LTD (JP) 2002-09-11 EP disclosed
US-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors MERCK FROSST CANADA LTD. (CA) 2002-07-11 US disclosed
WO-2001070753-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-09-27 WO disclosed
US-5739131-A TREATMENT OF KIDNEY DISORDERS; COMPOUNDS DO NOT AFFECT BLOOD PRESSURE KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1998-04-14 US disclosed
US-5731310-A KIDNEY DISEASE KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1998-03-24 US disclosed
US-5696118-A ADMINISTERING FOR TREATING KIDNEY DISEASE KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1997-12-09 US disclosed
EP-0665223-A1 Antitumor agent, novel 3(2H)-pyridazinone derivatives and their preparation TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-08-02 EP 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-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors PTPRF, PTPRS, PTPRO AGTR1 1427/4885AGTR2 2252/4885P2RX7 497/4885

“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.