SCHEMBL2856970

SCHEMBL2856970

N=COCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
IDO1 P14902 1/20 0.48
AGXT P21549 1/20 0.46
MAOB P27338 2/20 0.46
ALDH1A1 P00352 3/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
PTGS1 P23219 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 1/20 0.40
HIF1A Q16665 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
CALM1 P0DP23 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39

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
Hydrochloric Acid SCHEMBL4215555 0.98 TSHR (0.50) TSHRIDO1AGXTMAOBALDH1A1
SCHEMBL10875676 0.89 TSHR (0.43) TSHRIDO1AGXTMAOBALDH1A1
SCHEMBL666545 0.79 TSHR (0.57) TSHRIDO1AGXTMAOBALDH1A1
SCHEMBL1066575 0.78 TSHR (0.50) TSHRIDO1AGXTMAOBALDH1A1
SCHEMBL6873209 0.77 TSHR (0.55) TSHRIDO1AGXTMAOBALDH1A1
SCHEMBL20936609 0.76 ALDH1A1 (0.44) TSHRMAOBALDH1A1HIF1AL3MBTL1
SCHEMBL6258622 0.76 TSHR (0.48) TSHRIDO1AGXTMAOBALDH1A1
Benzene SCHEMBL25178056 0.75 TSHR (0.52) TSHRIDO1AGXTMAOBALDH1A1
SCHEMBL503 0.75 TSHR (0.52) TSHRIDO1AGXTMAOBALDH1A1
SCHEMBL2068701 0.75 TSHR (0.52) TSHRIDO1AGXTMAOBALDH1A1

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1395587-B1 PROCESS FOR THE PREPARATION OF IMIPENEM RANBAXY LAB LTD (IN) 2009-07-29 EP claimed
US-7462712-B2 Process for the preparation of imipenem RANBAXY LABORATORIES LIMITED (IN) 2008-12-09 US claimed
US-20040220168-A1 Process for the preparation of imipenem RANBAXY LABORATORIES LIMITED (IN) 2004-11-04 US claimed
EP-1395587-A4 PROCESS FOR THE PREPARATION OF IMIPENEM RANBAXY LAB LTD (IN) 2004-09-15 EP claimed
EP-1395587-A1 PROCESS FOR THE PREPARATION OF IMIPENEM Ranbaxy Laboratories Limited (IN) 2004-03-10 EP claimed
WO-2002094828-A1 PROCESS FOR THE PREPARATION OF IMIPENEM RANBAXY LABORATORIES LIMITED (IN) 2002-11-28 WO claimed
US-20180066008-A1 MACROLIDES WITH MODIFIED DESOSAMINE SUGARS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-03-08 US disclosed
EP-1847532-B1 IGF-1R INHIBITOR KYOWA HAKKO KIRIN CO LTD (JP) 2013-06-05 EP disclosed
US-8293924-B2 Process for the preparation of carbapenem antibiotic ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2012-10-23 US disclosed
US-8293924-B2 Process for the preparation of carbapenem antibiotic ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2012-10-23 US disclosed
WO-2012081033-A2 A PROCESS FOR PREPARATION OF IMIPENEM SEQUENT SCIENTIFIC LIMITED (IN) 2012-06-21 WO disclosed
WO-2010146449-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF IMIPENAM ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2010-12-23 WO disclosed
US-20100311984-A1 PROCESS FOR THE PREPARATION OF CARBAPENEM ANTIBIOTIC ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2010-12-09 US disclosed
EP-0250096-A1 Isoxazolone derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-12-23 EP disclosed
US-4698339-A BETA-LACTAMASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-10-06 US disclosed
EP-0219923-A1 Antibiotic derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-04-29 EP disclosed
EP-0072014-B1 COMBINATION OF 2-SUBSTITUTED PENEMS WITH DIPEPTIDASE INHIBITORS MERCK & CO. INC. (US) 1986-12-30 EP disclosed
EP-0137403-A2 Carbapenems, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-04-17 EP disclosed
EP-0010573-B1 NOVEL Z-2-ACYLAMINO-3-MONOSUBSTITUTED PROPENIC ACIDS AND THEIR ESTERS AND SALTS, AND PROCESSES FOR PREPARING THEM MERCK & CO. INC. (US) 1983-10-19 EP disclosed
EP-0010573-A1 Novel Z-2-acylamino-3-monosubstituted propenic acids and their esters and salts, and processes for preparing them MERCK & CO. INC. (US) 1980-05-14 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 (3 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-20180066008-A1 MACROLIDES WITH MODIFIED DESOSAMINE SUGARS AND USES THEREOF FUT6, MGAM, B3GNT2 TSHR 3186/4885IDO1 724/4885AGXT 1129/4885
US-20040220168-A1 Process for the preparation of imipenem ITPA, MGAM, SI TSHR 4754/4885IDO1 1013/4885AGXT 778/4885
US-20100311984-A1 PROCESS FOR THE PREPARATION OF CARBAPENEM ANTIBIOTIC MGAM, TREH, SI TSHR 4577/4885IDO1 3881/4885AGXT 1480/4885

“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.