SCHEMBL18505781

SCHEMBL18505781

CCCn1cnc2c(-c3ccc(F)c(OCCCC(=O)NC)c3)nc(N3CCOCC3)nc21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 19/20 0.55
▸ PIK3R1 P27986 5/20 0.55
▸ PIK3CA P42336 5/20 0.55
▸ HDAC2 Q92769 14/20 0.51
▸ HDAC3 O15379 13/20 0.51
▸ HDAC4 P56524 13/20 0.51
▸ HDAC7 Q8WUI4 13/20 0.51
▸ HDAC10 Q969S8 13/20 0.51
▸ HDAC11 Q96DB2 13/20 0.51
▸ HDAC8 Q9BY41 13/20 0.51
▸ HDAC6 Q9UBN7 13/20 0.51
▸ HDAC9 Q9UKV0 13/20 0.51
▸ HDAC5 Q9UQL6 13/20 0.51

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
SCHEMBL17087313 0.94 HDAC1 (0.63) HDAC1PIK3R1PIK3CAHDAC2HDAC3
SCHEMBL18505726 0.94 HDAC1 (0.53) HDAC1PIK3R1PIK3CAHDAC2HDAC3
SCHEMBL18505755 0.93 HDAC1 (0.47) HDAC1PIK3R1PIK3CAHDAC2HDAC3
SCHEMBL17087306 0.88 HDAC1 (0.60) HDAC1PIK3R1PIK3CAHDAC2HDAC3
SCHEMBL18505720 0.87 HDAC3 (0.67) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL17087305 0.87 HDAC1 (0.54) HDAC1PIK3R1PIK3CAHDAC2HDAC3
SCHEMBL18505718 0.86 HDAC1 (0.68) HDAC1PIK3R1PIK3CAHDAC2HDAC3
SCHEMBL17087439 0.81 HDAC3 (0.76) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL17078431 0.80 HDAC1 (0.77) HDAC1PIK3R1PIK3CAHDAC2HDAC3
SCHEMBL18505766 0.80 HDAC1 (0.69) HDAC1PIK3R1PIK3CAHDAC2HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20170044162-A1 Fused Pyrimidine-Based Hydroxamate Derivatives HDAC1, HDAC2, HDAC5 HDAC1 1/4885PIK3R1 934/4885PIK3CA 301/4885

“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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