SCHEMBL4293546

SCHEMBL4293546

Cc1c(C=O)ccc(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 7/20 0.42
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
KCNJ1 P48048 3/20 0.38
TDP1 Q9NUW8 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC4 P56524 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 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
SCHEMBL5232154 0.84 ERN1 (0.43) ERN1ALDH1A1TSHRKCNJ1TDP1
SCHEMBL9712525 0.83 TDP1 (0.42) ERN1ALDH1A1TSHRKCNJ1TDP1
SCHEMBL5233407 0.82 ALDH1A1 (0.43) ERN1ALDH1A1TSHRKCNJ1TDP1
SCHEMBL584614 0.82 ERN1 (0.42) ERN1ALDH1A1TSHRKCNJ1TDP1
SCHEMBL3714181 0.79 HDAC4 (0.31) HDAC4
SCHEMBL23065826 0.78 ERN1 (0.39) ERN1ALDH1A1TSHRKCNJ1TDP1
SCHEMBL10290090 0.78 ERN1 (0.39) ERN1ALDH1A1TSHRKCNJ1TDP1
SCHEMBL19948618 0.78 ERN1 (0.39) ERN1ALDH1A1TSHRKCNJ1TDP1
SCHEMBL21121085 0.78 TDP1 (0.42) ERN1ALDH1A1TSHRKCNJ1TDP1
SCHEMBL18685382 0.78 TDP1 (0.42) ERN1ALDH1A1TSHRKCNJ1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111808069-B Preparation method of baroxavir key intermediate and intermediate thereof 中国药科大学 2022-05-17 CN claimed
CN-111808069-A Preparation method of baroxavir key intermediate and intermediate thereof 中国药科大学 2020-10-23 CN claimed
US-12351575-B2 6-fused heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2025-07-08 US disclosed
EP-3928836-B1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-09-18 EP disclosed
US-12011444-B2 N-substituted indole derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-18 US disclosed
US-20240166649-A1 DIHYDROPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI VISONPHARMA CO., LTD. (CN) 2024-05-23 US disclosed
EP-4293022-A1 DIHYDROPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Visonpharma Co., Ltd. (CN) 2023-12-20 EP disclosed
CN-115210237-B Dihydropyrimidine compound, preparation method and application thereof 上海维申医药有限公司 2023-11-14 CN disclosed
CN-115003673-B Dihydropyrimidine compound, preparation method and application thereof 上海维申医药有限公司 2023-08-11 CN disclosed
US-20230165865-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS JANSSEN PHARMACEUTICA NV (BE) 2023-06-01 US disclosed
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections JANSSEN PHARMACEUTICA NV (BE) 2023-05-02 US disclosed
US-8541449-B2 Substituted isoquinolines and isoquinolinones as Rho kinase inhibitors SANOFI (FR) 2013-09-24 US disclosed
EP-2313374-B1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI SA (FR) 2013-09-18 EP disclosed
US-20130109715-A1 6-Substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-05-02 US disclosed
US-8399482-B2 6-substituted isoquinolines and isoquinolinones SANOFI (FR) 2013-03-19 US disclosed
WO-2009156100-A1 SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES AS RHO KINASE INHIBITORS SANOFI-AVENTIS (FR) 2009-12-30 WO disclosed
WO-2009156099-A1 6-SUBSTITUTED ISOQUINOLINES AND ISOQUINOLINONES SANOFI-AVENTIS (FR) 2009-12-30 WO disclosed
EP-1514864-B1 Difluoralkyl aromatic compounds SALTIGO GMBH (DE) 2008-03-19 EP disclosed
EP-1514864-A2 Difluoralkyl aromatic compounds Bayer Chemicals AG (DE) 2005-03-16 EP disclosed
US-20050054733-A1 Difluoroalkylaromatics LANXESS DEUTSCHLAND GMBH (DE) 2005-03-10 US 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 (7 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-20230165865-A1 HETEROARYLDIHYDROPYRIMIDINE DERIVATIVES AND METHODS OF TREATING HEPATITIS B INFECTIONS HAVCR2, HCCS, PYGL ERN1 2629/4885ALDH1A1 1615/4885TSHR 4103/4885
US-12011444-B2 N-substituted indole derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 ERN1 1755/4885ALDH1A1 761/4885TSHR 325/4885
US-20130109715-A1 6-Substituted isoquinolines and isoquinolinones MYLK2, MYLK, MYLK3 ERN1 2562/4885ALDH1A1 2500/4885TSHR 4168/4885
US-12351575-B2 6-fused heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection DPYD, CYP2D6, CYP2B6 ERN1 2275/4885ALDH1A1 1133/4885TSHR 1928/4885
US-20240166649-A1 DIHYDROPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF DPYD, GOT1, WEE1 ERN1 4198/4885ALDH1A1 623/4885TSHR 4834/4885
US-20050054733-A1 Difluoroalkylaromatics NQO1, TYR, FLI1 ERN1 3643/4885ALDH1A1 393/4885TSHR 4783/4885
US-11639350-B2 Heteroaryldihydropyrimidine derivatives and methods of treating hepatitis B infections HCCS, HAVCR2, NR1H4 ERN1 2487/4885ALDH1A1 1584/4885TSHR 3525/4885

“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.