SCHEMBL20720657

SCHEMBL20720657

CC(C)Nc1c2ccccc2nc2cc(OCCCN3CCCC3)c(Cl)c(OC(=O)C(F)(F)F)c12

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.44
ACP1 P24666 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HRH3 Q9Y5N1 10/20 0.40
KCNH2 Q12809 8/20 0.40
ADRA1A P35348 5/20 0.40
HTR4 Q13639 1/20 0.40
AVPR1B P47901 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38
EHMT1 Q9H9B1 1/20 0.38
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37

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
SCHEMBL20720655 0.85 FLT3 (0.42) AVPR1BKDR
SCHEMBL20720718 0.85 CACNA2D1 (0.46) CACNA2D1ACP1L3MBTL1HRH3KCNH2
SCHEMBL20720751 0.85 CACNA2D1 (0.46) CACNA2D1ACP1L3MBTL1HRH3KCNH2
Trifluoroacetic Acid SCHEMBL20720656 0.82 CACNA2D1 (0.50) CACNA2D1ACP1L3MBTL1HRH3KCNH2
SCHEMBL20720729 0.79 EHMT2 (0.52) ADRA1AEHMT2EHMT1
SCHEMBL20720716 0.79 EHMT2 (0.50) EHMT2EHMT1
SCHEMBL20720682 0.78 EHMT2 (0.43) HTR4EHMT2
SCHEMBL20720626 0.77 ACP1 (0.46) CACNA2D1ACP1HRH3KCNH2ADRA1A
SCHEMBL19260586 0.76 CACNA2D1 (0.58) CACNA2D1ACP1L3MBTL1HRH3KCNH2
SCHEMBL20720618 0.75 EHMT2 (0.38) HTR4AVPR1BEHMT2EHMT1

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 CACNA2D1 1539/4885ACP1 3686/4885L3MBTL1 72/4885
US-11254651-B2 Histone methyltransferase inhibitors EHMT1, EHMT2, BMI1 CACNA2D1 1539/4885ACP1 3686/4885L3MBTL1 72/4885

“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.