SCHEMBL1941132

SCHEMBL1941132

O=C(O)c1cccc(OOOCl)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.58
KMO O15229 1/20 0.53
NR4A2 P43354 8/20 0.50
KMT2A Q03164 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
NR4A1 P22736 1/20 0.46
NR4A3 Q92570 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA6 P23280 1/20 0.46
CA9 Q16790 1/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL71432 0.89 AKR1C3 (0.61) AKR1C3KMONR4A2KMT2AMRGPRX4
Water SCHEMBL27971095 0.87 AKR1C3 (0.59) AKR1C3KMONR4A2KMT2AMRGPRX4
SCHEMBL29118338 0.81 AKR1C3 (0.71) AKR1C3KMONR4A2KMT2AMRGPRX4
SCHEMBL30517803 0.81 AKR1C3 (0.66) AKR1C3KMONR4A2KMT2AMRGPRX4
SCHEMBL5235780 0.81 AKR1C3 (0.66) AKR1C3KMONR4A2KMT2AMRGPRX4
Toluene SCHEMBL28189299 0.80 AKR1C3 (0.56) AKR1C3KMONR4A2KMT2AMRGPRX4
SCHEMBL16792377 0.80 AKR1C3 (0.51) AKR1C3KMONR4A2KMT2AMRGPRX4
SCHEMBL11000519 0.79 AKR1C3 (0.54) AKR1C3KMONR4A2KMT2AMRGPRX4
SCHEMBL13369193 0.78 AKR1C3 (0.61) AKR1C3KMONR4A2KMT2AMRGPRX4
SCHEMBL68858 0.77 AKR1C3 (0.92) AKR1C3KMONR4A2KMT2AMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113651758-B Synthetic method of benzo-hydrogenated imidazolone framework 南通大学 2023-03-14 CN disclosed
EP-3601282-B1 NOVEL PYRIDO[2,3-B]INDOLE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION HOFFMANN LA ROCHE (CH) 2021-07-21 EP disclosed
US-20200339603-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection HOFFMANN-LA ROCHE INC. (US) 2020-10-29 US disclosed
US-10662203-B2 Pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection HOFFMANN-LA ROCHE INC. (US) 2020-05-26 US disclosed
EP-3601282-A1 NOVEL PYRIDO[2,3-B]INDOLE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTION H. Hoffnabb-La Roche Ag (CH) 2020-02-05 EP disclosed
US-20180327425-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection HOFFMANN-LA ROCHE INC. (US) 2018-11-15 US disclosed
WO-2018178041-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection F. HOFFMANN-LA ROCHE AG (CH) 2018-10-04 WO disclosed
EP-2330909-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-09-18 EP disclosed
US-8383635-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-02-26 US disclosed
EP-2330909-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2011-06-15 EP disclosed
US-20110136838-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2011-06-09 US disclosed
WO-2010019637-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-02-18 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 (4 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-20180327425-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection IDO1, IDO2, TDO2 AKR1C3 262/4885KMO 7/4885NR4A2 2627/4885
US-20200339603-A1 Novel pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection IDO1, IDO2, TDO2 AKR1C3 262/4885KMO 7/4885NR4A2 2627/4885
US-20110136838-A1 CHEMICAL COMPOUNDS PDK1, PDK4, PDK3 AKR1C3 181/4885KMO 844/4885NR4A2 2996/4885
US-10662203-B2 Pyrido[2,3-b]indole compounds for the treatment and prophylaxis of bacterial infection IDO1, IDO2, KYNU AKR1C3 195/4885KMO 7/4885NR4A2 2954/4885

“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.