SCHEMBL20720782

SCHEMBL20720782

CNc1c2ccccc2nc2cc(OCCCN(C)C)c(OC)c(OC(=O)C(F)(F)F)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ APP P05067 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ POLB P06746 2/20 0.39
▸ RAD52 P43351 2/20 0.39
▸ TOP2A P11388 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ TOP2B Q02880 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ APOBEC3A P31941 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL20720750 0.80 HDAC3 (0.40) ACHEHDAC3APPHDAC4HDAC1
Trifluoroacetic Acid SCHEMBL19260557 0.80 EGFR (0.44) ACHEPOLBRAD52RAB9ANPC1
SCHEMBL20720741 0.79 KIT (0.40) ACHEHDAC3APPHDAC4HDAC1
SCHEMBL20720655 0.75 FLT3 (0.42) POLBRAD52RAB9ANPC1KMT2A
SCHEMBL20720718 0.75 CACNA2D1 (0.46) ACHEHDAC3APPHDAC4HDAC1
SCHEMBL20720751 0.75 CACNA2D1 (0.46) ACHEHDAC3APPHDAC4HDAC1
SCHEMBL20720716 0.75 EHMT2 (0.50) —
SCHEMBL19260524 0.74 EGFR (0.50) POLBRAD52TOP2ARAB9ANPC1
SCHEMBL20720682 0.74 EHMT2 (0.43) —
SCHEMBL20720729 0.73 EHMT2 (0.52) CHRM2CHRM1ADRA2CHTR2AADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11254651-B2 Histone methyltransferase inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2022-02-22 — — US disclosed
EP-3416963-B1 HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2021-07-28 — — EP disclosed
US-20190047981-A1 HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2019-02-14 — — 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 (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-20190047981-A1 HISTONE METHYLTRANSFERASE INHIBITORS EHMT1, EHMT2, BMI1 ACHE 3056/4885HDAC3 139/4885APP 3783/4885
US-11254651-B2 Histone methyltransferase inhibitors EHMT1, EHMT2, BMI1 ACHE 3056/4885HDAC3 139/4885APP 3783/4885

“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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