SCHEMBL5387015

SCHEMBL5387015

O=Cc1cc2ccccc2cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.50
▸ LMNA P02545 4/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ THRB P10828 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ NPSR1 Q6W5P4 3/20 0.41
▸ ERN1 O75460 4/20 0.40
▸ MAPT P10636 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ ALDH1A1 P00352 6/20 0.39
▸ CYP2A6 P11509 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ TRIM24 O15164 1/20 0.38
▸ TRIM33 Q9UPN9 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL29364404 0.83 LMNA (0.58) TDP1LMNAMEN1KMT2ATHRB
SCHEMBL652955 0.83 LMNA (0.58) TDP1LMNAMEN1KMT2ATHRB
SCHEMBL986911 0.78 TDP1 (0.52) TDP1LMNAMEN1KMT2ATHRB
SCHEMBL547777 0.78 TDP1 (0.52) TDP1LMNAMEN1KMT2ATHRB
SCHEMBL30402244 0.78 TDP1 (0.52) TDP1LMNAMEN1KMT2ATHRB
SCHEMBL3134002 0.77 TDP1 (0.59) TDP1LMNAMEN1KMT2ATHRB
SCHEMBL23527770 0.77 HASPIN (0.53) TDP1ERN1ALDH1A1CYP2A6GAA
SCHEMBL22652708 0.77 ERN1 (0.52) TDP1ERN1CYP2A6
SCHEMBL10041729 0.77 TDP1 (0.50) TDP1ERN1CYP2A6
SCHEMBL3412523 0.75 CASP6 (0.57) TDP1LMNAMEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 — — US disclosed
EP-3625228-B1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-07 — — EP disclosed
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 — — US disclosed
EP-3625228-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2020-03-25 — — EP disclosed
CN-110612299-A Pyrimidine derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2019-12-24 — — CN disclosed
WO-2018210988-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2018-11-22 — — WO disclosed
US-RE39590-E1 Substituted benzene compounds, process for their preparation, and herbicidal and defoliant compositions containing them ISK AMERICAS INCORPORATED (US) 2007-04-24 — — US disclosed
CN-1680274-A Substituted benzene compounds, process for their preparation, and herbicidal and defoliant compositions containing them ISK AMERICAS INC (US) 2005-10-12 — — CN disclosed
CN-1673219-A Substituted benzene compounds, process for their preparation, and herbicidal and defoliant compositions containing them ISK AMERICAS INC (US) 2005-09-28 — — CN disclosed
US-20030171422-A1 New nitromethyl ketones, process for preparing them and compositions containing them MERCK PATENT GMBH (DE) 2003-09-11 — — US disclosed
US-6559185-B2 Nitromethyl ketone compounds having aldose reduction inhibiting properties and methods for their use MERCK PATENT GMBH (DE) 2003-05-06 — — US disclosed
US-20030069312-A1 Antidiabetic agents LARDY CLAUDE (FR) 2003-04-10 — — US disclosed
US-6545161-B2 Potato and corn crops ISK AMERICAS INCORPORATED 2003-04-08 — — US disclosed
US-6043281-A ALDOSE REDUCTASE INHIBITORS; TREATMENT OR PREVENTION OF COMPLICATIONS OF DIABETES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-03-28 — — US disclosed
EP-0983226-A1 NEW NITROMETHYL KETONES, PROCESS FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM MERCK PATENT GmbH (DE) 2000-03-08 — — EP disclosed
US-5932765-A REDUCTASE INHIBITORS MERCK PATENT GESELLSCHAFT MIT (DE) 1999-08-03 — — US disclosed
WO-1998052906-A1 NEW NITROMETHYL KETONES, PROCESS FOR PREPARING THEM AND COMPOSITIONS CONTAINING THEM MERCK PATENT GMBH (DE) 1998-11-26 — — 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-20030069312-A1 Antidiabetic agents SLC5A1, SLC5A2, GPR119 TDP1 2860/4885LMNA 1633/4885MEN1 3488/4885
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 TDP1 2322/4885LMNA 4601/4885MEN1 4485/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 TDP1 2322/4885LMNA 4601/4885MEN1 4485/4885
US-20030171422-A1 New nitromethyl ketones, process for preparing them and compositions containing them AKR1B1, AKR1A1, AKR1C1 TDP1 2738/4885LMNA 578/4885MEN1 3542/4885

“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.

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