SCHEMBL20720780

SCHEMBL20720780

COc1cc2c(NC(C)C)c3c(OC=O)nccc3nc2cc1OCCCN1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 12/20 0.51
EHMT1 Q9H9B1 12/20 0.51
SPIN1 Q9Y657 5/20 0.47
TLR9 Q9NR96 2/20 0.45
TLR7 Q9NYK1 2/20 0.45
KMT5A Q9NQR1 1/20 0.45

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
Formic Acid SCHEMBL20720779 0.81 EHMT2 (0.51) EHMT2EHMT1SPIN1TLR9TLR7
SCHEMBL20720673 0.80 EHMT2 (0.54) EHMT2EHMT1SPIN1TLR9TLR7
Formic Acid SCHEMBL19260658 0.79 EHMT2 (0.55) EHMT2EHMT1SPIN1TLR9TLR7
SCHEMBL19260641 0.79 CACNA2D1 (0.58) EHMT2EHMT1SPIN1TLR9TLR7
SCHEMBL20720603 0.78 EHMT2 (0.58) EHMT2EHMT1SPIN1TLR9TLR7
Formic Acid SCHEMBL20720689 0.76 EHMT2 (0.69) EHMT2SPIN1
SCHEMBL20720690 0.75 SPIN1 (0.51) EHMT2EHMT1SPIN1
Formic Acid SCHEMBL19260687 0.75 EHMT2 (0.48) EHMT2EHMT1SPIN1TLR9TLR7
SCHEMBL19260611 0.75 EHMT2 (0.73) EHMT2SPIN1
SCHEMBL19260594 0.75 EHMT2 (0.70) EHMT2SPIN1

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 EHMT2 2/4885EHMT1 1/4885SPIN1 599/4885
US-11254651-B2 Histone methyltransferase inhibitors EHMT1, EHMT2, BMI1 EHMT2 2/4885EHMT1 1/4885SPIN1 599/4885

“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.