SCHEMBL19260772

SCHEMBL19260772

COc1cc2c(NCCOC(=O)C(F)(F)F)c3ccccc3nc2cc1OCCCN1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 15/20 0.52
EHMT1 Q9H9B1 7/20 0.52
TLR9 Q9NR96 3/20 0.49
TLR7 Q9NYK1 3/20 0.49
HRH3 Q9Y5N1 1/20 0.48
DNMT1 P26358 5/20 0.47
NSD2 O96028 1/20 0.47
HTR4 Q13639 1/20 0.46

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
SCHEMBL19260604 0.97 EHMT2 (0.52) EHMT2EHMT1TLR9TLR7HRH3
Trifluoroacetic Acid SCHEMBL19260773 0.90 EHMT2 (0.54) EHMT2EHMT1TLR9TLR7HRH3
Trifluoroacetic Acid SCHEMBL19260602 0.89 KMT5A (0.53) EHMT2EHMT1TLR9TLR7HRH3
Trifluoroacetic Acid SCHEMBL19260739 0.87 EHMT2 (0.50) EHMT2EHMT1TLR9TLR7HRH3
SCHEMBL19260546 0.86 EHMT2 (0.60) EHMT2EHMT1TLR9TLR7HRH3
SCHEMBL19260550 0.85 KMT5A (0.59) EHMT2EHMT1TLR9TLR7HRH3
SCHEMBL19260597 0.85 EHMT2 (0.67) EHMT2EHMT1TLR9TLR7HRH3
Trifluoroacetic Acid SCHEMBL19260564 0.84 EHMT2 (0.50) EHMT2EHMT1TLR9TLR7DNMT1
SCHEMBL19260809 0.84 HRH3 (0.53) EHMT2EHMT1TLR9TLR7HRH3
SCHEMBL19260577 0.84 EHMT2 (0.59) EHMT2EHMT1TLR9TLR7DNMT1

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 5 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
EP-3416963-A1 HISTONE METHYLTRANSFERASE INHIBITORS Global Blood Therapeutics, Inc. (US) 2018-12-26 EP disclosed
WO-2017142947-A1 HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2017-08-24 WO 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 1/4885TLR9 3384/4885
US-11254651-B2 Histone methyltransferase inhibitors EHMT1, EHMT2, BMI1 EHMT2 2/4885EHMT1 1/4885TLR9 3384/4885

“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.