SCHEMBL21834366

SCHEMBL21834366

COc1ccc(N(C)c2cc(C#N)nc3ccccc23)cc1I

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.61
HDAC6 Q9UBN7 5/20 0.61
HDAC11 Q96DB2 2/20 0.61
TUBB4A P04350 1/20 0.61
TUBB P07437 1/20 0.61
TUBA3C P0DPH7 1/20 0.61
TUBA1B P68363 1/20 0.61
TUBA4A P68366 1/20 0.61
TUBB4B P68371 1/20 0.61
TUBB3 Q13509 1/20 0.61
TUBB2A Q13885 1/20 0.61
TUBB8 Q3ZCM7 1/20 0.61
TUBA3E Q6PEY2 1/20 0.61
TUBA1A Q71U36 1/20 0.61
TUBA1C Q9BQE3 1/20 0.61
TUBB6 Q9BUF5 1/20 0.61
TUBB2B Q9BVA1 1/20 0.61
TUBB1 Q9H4B7 1/20 0.61
EGFR P00533 3/20 0.43
PDGFRB P09619 3/20 0.43

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
SCHEMBL30444047 1.00 HDAC8 (0.61) HDAC8HDAC6HDAC11TUBB4ATUBB
SCHEMBL24224674 0.90 HDAC8 (0.62) HDAC8HDAC6HDAC11TUBB4ATUBB
Methane SCHEMBL25561053 0.89 HDAC8 (0.61) HDAC8HDAC6HDAC11TUBB4ATUBB
SCHEMBL30444040 0.86 HDAC11 (0.61) HDAC8HDAC6HDAC11TUBB4ATUBB
SCHEMBL21834371 0.86 HDAC11 (0.61) HDAC8HDAC6HDAC11TUBB4ATUBB
SCHEMBL21883061 0.86 HDAC8 (0.64) HDAC8HDAC6HDAC11TUBB4ATUBB
SCHEMBL21883417 0.84 TUBB4A (0.45) HDAC8HDAC6HDAC11TUBB4ATUBB
SCHEMBL25224944 0.82 TUBB4A (0.59) HDAC8HDAC6HDAC11TUBB4ATUBB
SCHEMBL21882937 0.82 HDAC8 (0.57) HDAC8HDAC6HDAC11TUBB4ATUBB
SCHEMBL30667452 0.81 HDAC11 (0.41) HDAC8HDAC6HDAC11TUBB4ATUBB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12172965-B2 Drug conjugate comprising quinoline derivatives Universite Paris-Saclay (FR) 2024-12-24 US disclosed
CN-117551032-A Drug conjugates comprising quinoline derivatives 国家科学研究中心 2024-02-13 CN disclosed
CN-112955434-B Drug conjugates comprising quinoline derivatives 国家科学研究中心 2023-12-08 CN disclosed
EP-3853208-B1 DRUG CONJUGATE COMPRISING QUINOLINE DERIVATIVES CENTRE NAT RECH SCIENT (FR) 2023-06-07 EP disclosed
EP-3853208-B1 DRUG CONJUGATE COMPRISING QUINOLINE DERIVATIVES CENTRE NAT RECH SCIENT (FR) 2023-06-07 EP disclosed
US-20220023435-A1 DRUG CONJUGATE COMPRISING QUINOLINE DERIVATIVES Universite Paris-Saclay (FR) 2022-01-27 US disclosed
US-20220023435-A1 DRUG CONJUGATE COMPRISING QUINOLINE DERIVATIVES Universite Paris-Saclay (FR) 2022-01-27 US disclosed
EP-3853208-A1 DRUG CONJUGATE COMPRISING QUINOLINE DERIVATIVES Centre national de la recherche scientifique (FR) 2021-07-28 EP disclosed
CN-112955434-A Drug conjugates comprising quinoline derivatives 国家科学研究中心 2021-06-11 CN disclosed
WO-2020058290-A1 DRUG CONJUGATE COMPRISING QUINOLINE DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-03-26 WO disclosed
WO-2020058290-A1 DRUG CONJUGATE COMPRISING QUINOLINE DERIVATIVES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2020-03-26 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 (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-20220023435-A1 DRUG CONJUGATE COMPRISING QUINOLINE DERIVATIVES HRH3, ABCC3, ORC3 HDAC8 671/4885HDAC6 127/4885HDAC11 314/4885
US-12172965-B2 Drug conjugate comprising quinoline derivatives HRH3, ABCC3, ORC3 HDAC8 671/4885HDAC6 127/4885HDAC11 314/4885

“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.