SCHEMBL17558652

SCHEMBL17558652

OCc1nc(F)ccc1Br

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL13732665 0.80 S1PR4 (0.30) S1PR4
SCHEMBL16872152 0.77 ALDH1A1 (0.34) KDM4EALDH1A1
SCHEMBL19715565 0.77 ALDH1A1 (0.34) KDM4EALDH1A1
SCHEMBL18859907 0.76 CCR1 (0.48) S1PR4KDM4EALDH1A1
SCHEMBL17558629 0.76 ALDH1A1 (0.38) KDM4EALDH1A1
SCHEMBL22899911 0.75 CCR1 (0.34) KDM4EALDH1A1
SCHEMBL31709806 0.74 BACE1 (0.39) KDM4EALDH1A1
SCHEMBL22899824 0.74 KDM4E (0.61) S1PR4KDM4EALDH1A1
SCHEMBL6996699 0.74 BACE1 (0.39) KDM4EALDH1A1
SCHEMBL30602430 0.74 PDE4B (0.36) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025096751-A1 MACROCYCLIC INHIBITORS OF ATP CITRATE LYASE ESPERION THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
CN-107074859-B Cyclohexylethyl substituted diaza-and triaza-tricyclics as indoleamine-2, 3-dioxygenase (IDO) antagonists for the treatment of cancer 默克专利有限公司 2021-08-06 CN disclosed
EP-3189054-B1 (1-FLUORO-CYCLOHEX-1-YL)-ETHYL SUBSTITUTED DIAZA- AND TRIAZA-TRICYCLIC COMPOUNDS AS INDOLE-AMINE-2,3-DIOXYGENASE (IDO) ANTAGONISTS FOR THE TREATMENT OF CANCER MERCK PATENT GMBH (DE) 2019-07-24 EP disclosed
US-10329297-B2 Compounds for the inhibition of indoleamine-2,3-dioxygenase MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
US-20170355703-A1 COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE MERCK PATENT GMBH (DE) 2017-12-14 US disclosed
US-20170355703-A1 COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE MERCK PATENT GMBH (DE) 2017-12-14 US disclosed
US-20170355703-A1 COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE MERCK PATENT GMBH (DE) 2017-12-14 US disclosed
US-9771370-B2 Compounds for the inhibition of indoleamine-2,3-dioxygenase MERCK PATENT GMBH (DE) 2017-09-26 US disclosed
US-9771370-B2 Compounds for the inhibition of indoleamine-2,3-dioxygenase MERCK PATENT GMBH (DE) 2017-09-26 US disclosed
US-9771370-B2 Compounds for the inhibition of indoleamine-2,3-dioxygenase MERCK PATENT GMBH (DE) 2017-09-26 US disclosed
EP-3189054-A1 CYCLOHEXYL-ETHYL SUBSTITUTED DIAZA- AND TRIAZA-TRICYCLIC COMPOUNDS AS INDOLE-AMINE-2,3-DIOXYGENASE (IDO) ANTAGONISTS FOR THE TREATMENT OF CANCER Merck Patent GmbH (DE) 2017-07-12 EP disclosed
US-20160075711-A1 COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE MERCK PATENT GMBH (DE) 2016-03-17 US disclosed
US-20160075711-A1 COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE MERCK PATENT GMBH (DE) 2016-03-17 US disclosed
WO-2016037026-A1 CYCLOHEXYL-ETHYL SUBSTITUTED DIAZA- AND TRIAZA-TRICYCLIC COMPOUNDS AS INDOLE-AMINE-2,3-DIOXYGENASE (IDO) ANTAGONISTS FOR THE TREATMENT OF CANCER MERCK PATENT GMBH (DE) 2016-03-10 WO disclosed
WO-2016037026-A1 CYCLOHEXYL-ETHYL SUBSTITUTED DIAZA- AND TRIAZA-TRICYCLIC COMPOUNDS AS INDOLE-AMINE-2,3-DIOXYGENASE (IDO) ANTAGONISTS FOR THE TREATMENT OF CANCER MERCK PATENT GMBH (DE) 2016-03-10 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 (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-20170355703-A1 COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE IDO1, IDO2, INMT S1PR4 1775/4885KDM4E 362/4885ALDH1A1 935/4885
US-10329297-B2 Compounds for the inhibition of indoleamine-2,3-dioxygenase IDO1, IDO2, INMT S1PR4 1775/4885KDM4E 362/4885ALDH1A1 935/4885
US-20160075711-A1 COMPOUNDS FOR THE INHIBITION OF INDOLEAMINE-2,3-DIOXYGENASE IDO1, IDO2, INMT S1PR4 1775/4885KDM4E 362/4885ALDH1A1 935/4885

“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.