SCHEMBL24704178

SCHEMBL24704178

CNc1cc(Cn2cnc(C3CC3)c2-c2ccccc2Cl)ccc1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.35
▸ HDAC2 Q92769 3/20 0.35
▸ HDAC3 O15379 2/20 0.35
▸ HDAC4 P56524 2/20 0.35
▸ HDAC7 Q8WUI4 2/20 0.35
▸ HDAC10 Q969S8 2/20 0.35
▸ HDAC11 Q96DB2 2/20 0.35
▸ HDAC8 Q9BY41 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ HDAC9 Q9UKV0 2/20 0.35
▸ HDAC5 Q9UQL6 2/20 0.35
▸ NCOR2 Q9Y618 2/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ DPP4 P27487 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAT2A P31153 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ AGTR2 P50052 2/20 0.31
▸ CYP11B2 P19099 2/20 0.31

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
SCHEMBL29490233 1.00 HDAC1 (0.35) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL22862947 0.86 RAD52 (0.43) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL29490308 0.86 RAD52 (0.43) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL29490176 0.84 HDAC1 (0.35) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL22862466 0.84 HDAC1 (0.35) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL22862481 0.84 MAPT (0.35) RAD52POLBMAPK1SMN1; SMN2
SCHEMBL22862467 0.77 HTT (0.43) DPP4HTTLMNAPOLBCYP11B2
SCHEMBL22862547 0.77 POLB (0.49) RAD52HTTLMNAPOLBMAPK1
SCHEMBL29490210 0.77 POLB (0.49) RAD52HTTLMNAPOLBMAPK1
SCHEMBL22862437 0.76 CDK9 (0.40) RAD52DPP4HTTLMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220389028-A1 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY 2022-12-08 — — 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-20220389028-A1 BAX INHIBITORS AND USES THEREOF BAX, TMBIM6, BCL2 HDAC1 2782/4885HDAC2 3992/4885HDAC3 3183/4885

“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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