SCHEMBL17078423

SCHEMBL17078423

CCn1c(CN(C)Cc2ccc(C=CC(=O)OC)cc2)nc2c(N3CCOCC3)nc(Cl)nc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 15/20 0.46
▸ PIK3R1 P27986 3/20 0.43
▸ PIK3CA P42336 2/20 0.43
▸ HDAC3 O15379 3/20 0.36
▸ HDAC4 P56524 3/20 0.36
▸ HDAC7 Q8WUI4 3/20 0.36
▸ HDAC2 Q92769 3/20 0.36
▸ HDAC10 Q969S8 3/20 0.36
▸ HDAC11 Q96DB2 3/20 0.36
▸ HDAC8 Q9BY41 3/20 0.36
▸ HDAC6 Q9UBN7 3/20 0.36
▸ HDAC9 Q9UKV0 3/20 0.36
▸ HDAC5 Q9UQL6 3/20 0.36
▸ NCOR2 Q9Y618 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ P2RX3 P56373 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PIK3CD O00329 1/20 0.36

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
SCHEMBL17078420 1.00 HDAC1 (0.46) HDAC1PIK3R1PIK3CAHDAC3HDAC4
SCHEMBL17087424 0.92 HDAC1 (0.47) HDAC1PIK3R1PIK3CAHDAC3HDAC4
SCHEMBL18490826 0.92 HDAC1 (0.47) HDAC1PIK3R1PIK3CAHDAC3HDAC4
SCHEMBL18505785 0.91 HDAC1 (0.45) HDAC1PIK3R1PIK3CAMAPTP2RX3
SCHEMBL18505794 0.89 HDAC1 (0.44) HDAC1PIK3R1PIK3CAHDAC3HDAC4
SCHEMBL17078404 0.86 HDAC1 (0.49) HDAC1PIK3R1PIK3CAHDAC3HDAC4
SCHEMBL17087539 0.86 HDAC1 (0.54) HDAC1PIK3R1PIK3CAHDAC3HDAC4
SCHEMBL18490844 0.86 HDAC1 (0.54) HDAC1PIK3R1PIK3CAHDAC3HDAC4
SCHEMBL17087537 0.86 HDAC1 (0.62) HDAC1PIK3R1PIK3CAHDAC3HDAC4
SCHEMBL18490823 0.86 HDAC1 (0.62) HDAC1PIK3R1PIK3CAHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180265512-A1 FUSED PYRIMIDINE-BASED HYDROXAMATE DERIVATIVES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-09-20 — — US disclosed
US-9957270-B2 Fused pyrimidine-based hydroxamate derivatives AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2018-05-01 — — US disclosed
US-20170044162-A1 Fused Pyrimidine-Based Hydroxamate Derivatives AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-02-16 — — US disclosed
EP-3116876-A1 FUSED PYRIMIDINE-BASED HYDROXAMATE DERIVATIVES Agency For Science, Technology And Research (SG) 2017-01-18 — — EP disclosed
WO-2015137887-A1 FUSED PYRIMIDINE-BASED HYDROXAMATE DERIVATIVES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-09-17 — — 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-20170044162-A1 Fused Pyrimidine-Based Hydroxamate Derivatives HDAC1, HDAC2, HDAC5 HDAC1 1/4885PIK3R1 934/4885PIK3CA 301/4885
US-20180265512-A1 FUSED PYRIMIDINE-BASED HYDROXAMATE DERIVATIVES HDAC1, HDAC5, HDAC2 HDAC1 1/4885PIK3R1 1108/4885PIK3CA 321/4885

“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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