SCHEMBL21702390

SCHEMBL21702390

COc1ccc(COc2cc(Cl)ncc2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAOB P27338 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL30046812 1.00 POLB (0.41) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21679225 0.85 RAB9A (0.54) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17671029 0.82 L3MBTL1 (0.40) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL31467060 0.77 MCL1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL26984529 0.77 MCL1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL31517904 0.76 NPC1 (0.47) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL31533114 0.75 NPC1 (0.52) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL31533073 0.75 APP (0.50) POLBNPC1RAB9AALDH1A1MEN1
SCHEMBL31533172 0.74 ALDH1A1 (0.51) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL15631408 0.73 NPC1 (0.45) POLBNPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases Janssen Sciences Ireland Unlimited Company (IE) 2021-07-06 — — US disclosed
EP-3814326-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2021-05-05 — — EP disclosed
CN-112513017-A Dihydropyrimidine derivatives and their use in the treatment of HBV infection or HBV-induced diseases 爱尔兰詹森科学公司 2021-03-16 — — CN disclosed
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES Janssen Sciences Ireland Unlimited Company (IE) 2020-02-13 — — 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 (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-11053235-B2 Substituted 1,4-dihydropyrimidines for the treatment of HBV infection or HBV-induced diseases DPYD, TYMP, HAVCR2 POLB 162/4885NPC1 830/4885RAB9A 3316/4885
US-20200048242-A1 DIHYDROPYRIMIDINE DERIVATIVES AND USES THEREOF IN THE TREATMENT OF HBV INFECTION OR OF HBV-INDUCED DISEASES DPYD, HAVCR2, TYMP POLB 163/4885NPC1 1218/4885RAB9A 3449/4885

“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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