SCHEMBL18392216

SCHEMBL18392216

O=c1c(-c2c[nH]c3ccc(Br)cc23)c(-c2c(-c3ccccc3)[nH]c3ccccc23)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.48
▸ CAMK2D Q13557 2/20 0.45
▸ ESR1 P03372 2/20 0.44
▸ ESR2 Q92731 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ PAX8 Q06710 1/20 0.44
▸ S100A4 P26447 1/20 0.42
▸ PTPRC P08575 1/20 0.42
▸ CCNB2 O95067 1/20 0.42
▸ CCNE2 O96020 1/20 0.42
▸ CDK1 P06493 1/20 0.42
▸ CDK4 P11802 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ CCND1 P24385 1/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CCNB3 Q8WWL7 1/20 0.42

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
SCHEMBL18392164 0.88 ESR1 (0.54) PTGS2CAMK2DESR1ESR2ALDH1A1
SCHEMBL18392166 0.85 S100A4 (0.54) CAMK2DALDH1A1MAPTLMNAS100A4
SCHEMBL18392292 0.85 MGAM (0.48) PTGS2CAMK2DALDH1A1MAPTLMNA
SCHEMBL18392428 0.83 ABCG2 (0.52) PTGS2ALDH1A1MAPTHPGDMEN1
SCHEMBL20365539 0.83 ESR1 (0.42) PTGS2ESR1ESR2HPGDPTPRC
SCHEMBL18392161 0.78 ESR1 (0.71) PTGS2ESR1ESR2ALDH1A1MAPT
SCHEMBL16459160 0.76 CAMK2D (0.49) CAMK2DS100A4CDK1CDK2CDK5
SCHEMBL8695238 0.75 CDK5 (0.55) CAMK2DCCNB2CDK1CCNB1CDK2
SCHEMBL15563263 0.74 PTGS2 (0.72) PTGS2ESR1ESR2ALDH1A1MAPT
SCHEMBL3662574 0.73 S100A4 (0.55) CAMK2DMAPTS100A4CCNB2CCNE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3319940-B1 NEW INDOLE COMPOUNDS HAVING ANTIPROTOZOAL ACTIVITY AND ITS USE AS WELL AS METHODS FOR PRODUCING THE SAME UNIV BRAUNSCHWEIG TECH (DE) 2019-05-29 — — EP disclosed
EP-3319940-B1 NEW INDOLE COMPOUNDS HAVING ANTIPROTOZOAL ACTIVITY AND ITS USE AS WELL AS METHODS FOR PRODUCING THE SAME UNIV BRAUNSCHWEIG TECH (DE) 2019-05-29 — — EP disclosed
US-10287271-B2 Indole compounds having antiprotozoal activity and its use as well as methods for producing the same TECHNISCHE UNIVERSITAET BRAUNSCHWEIG (DE) 2019-05-14 — — US disclosed
US-10287271-B2 Indole compounds having antiprotozoal activity and its use as well as methods for producing the same TECHNISCHE UNIVERSITAET BRAUNSCHWEIG (DE) 2019-05-14 — — US disclosed
US-20180194750-A1 NEW INDOLE COMPOUNDS HAVING ANTIPROTOZOAL ACTIVITY AND ITS USE AS WELL AS METHODS FOR PRODUCING THE SAME TECHNISCHE UNIVERSITAET BRAUNSCHWEIG (DE) 2018-07-12 — — US disclosed
US-20180194750-A1 NEW INDOLE COMPOUNDS HAVING ANTIPROTOZOAL ACTIVITY AND ITS USE AS WELL AS METHODS FOR PRODUCING THE SAME TECHNISCHE UNIVERSITAET BRAUNSCHWEIG (DE) 2018-07-12 — — US disclosed
US-20180194750-A1 NEW INDOLE COMPOUNDS HAVING ANTIPROTOZOAL ACTIVITY AND ITS USE AS WELL AS METHODS FOR PRODUCING THE SAME TECHNISCHE UNIVERSITAET BRAUNSCHWEIG (DE) 2018-07-12 — — US disclosed
WO-2017008826-A1 NEW INDOLE COMPOUNDS HAVING ANTIPROTOZOAL ACTIVITY AND ITS USE AS WELL AS METHODS FOR PRODUCING THE SAME TECHNISCHE UNIVERSITAET BRAUNSCHWEIG (DE) 2017-01-19 — — 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 (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-20180194750-A1 NEW INDOLE COMPOUNDS HAVING ANTIPROTOZOAL ACTIVITY AND ITS USE AS WELL AS METHODS FOR PRODUCING THE SAME IDO1, IDO2, INMT PTGS2 83/4885CAMK2D 2225/4885ESR1 4853/4885
US-10287271-B2 Indole compounds having antiprotozoal activity and its use as well as methods for producing the same IDO1, IDO2, INMT PTGS2 88/4885CAMK2D 2508/4885ESR1 4855/4885

“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.

Send feedback