SCHEMBL29351922

SCHEMBL29351922

Cc1cc(Oc2ccc(-c3ccccc3)cc2)ncc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ CYP1A2 P05177 4/20 0.43
▸ CYP2C9 P11712 4/20 0.43
▸ CYP2C19 P33261 4/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ HTT P42858 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ ATM Q13315 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ UHRF1 Q96T88 1/20 0.41
▸ KDM4E B2RXH2 2/20 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
SCHEMBL22530482 1.00 MAPT (0.45) MAPTCASP1CYP1A2CYP2C9CYP2C19
SCHEMBL16792635 0.91 UHRF1 (0.46) MAPTCYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL22530049 0.87 KDM4E (0.53) HTTL3MBTL1MEN1KMT2AUHRF1
SCHEMBL29351944 0.87 KDM4E (0.53) HTTL3MBTL1MEN1KMT2AUHRF1
SCHEMBL29353379 0.86 CYP11B1 (0.49) MAPTCASP1CYP1A2CYP2C9CYP2C19
SCHEMBL22530044 0.86 CYP11B1 (0.49) MAPTCASP1CYP1A2CYP2C9CYP2C19
SCHEMBL29351849 0.85 MKNK1 (0.48) MEN1KMT2AUHRF1KDM4ELTA4H
SCHEMBL22529896 0.85 MKNK1 (0.48) MEN1KMT2AUHRF1KDM4ELTA4H
SCHEMBL22529921 0.83 LRRK2 (0.48) NPSR1UHRF1KDM4ELTA4HPOLB
SCHEMBL29349917 0.83 LRRK2 (0.48) NPSR1UHRF1KDM4ELTA4HPOLB

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
CN-118994001-A NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2024-11-22 — — CN claimed
EP-3953335-A1 INHIBITORS OF NOTCH SIGNALLING PATHWAY AND USE THEREOF IN TREATMENT OF CANCERS Cellestia Biotech AG (CH) 2022-02-16 — — EP claimed
CN-113966324-A NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2022-01-21 — — CN claimed
CN-118994001-A NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2024-11-22 — — CN disclosed
CN-113966324-B NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2024-09-03 — — CN disclosed
US-20220169642-A1 COMPOUNDS FOR THE TREATMENT OF ONCOVIRUS INDUCED CANCER AND METHODS OF USE THEREOF CELLESTIA BIOTECH AG (CH) 2022-06-02 — — US disclosed
EP-3953335-A1 INHIBITORS OF NOTCH SIGNALLING PATHWAY AND USE THEREOF IN TREATMENT OF CANCERS Cellestia Biotech AG (CH) 2022-02-16 — — EP disclosed
CN-113966324-A NOTCH signaling pathway inhibitors and their use in cancer treatment 塞莱斯蒂亚生物技术股份公司 2022-01-21 — — CN 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 (1 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-20220169642-A1 COMPOUNDS FOR THE TREATMENT OF ONCOVIRUS INDUCED CANCER AND METHODS OF USE THEREOF NOTCH1, NOTCH4, NOTCH2 MAPT 4047/4885CASP1 129/4885CYP1A2 4163/4885

“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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