SCHEMBL19260826

SCHEMBL19260826

O=C(Oc1c2ccccc2nc2cc(OCCCN3CCCC3)ccc12)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.51
KCNH2 Q12809 12/20 0.51
ADRA1A P35348 8/20 0.51
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
XDH P47989 2/20 0.47
AURKA O14965 1/20 0.47
AURKB Q96GD4 1/20 0.47
GCGR P47871 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
Trifluoroacetic Acid SCHEMBL19260825 0.86 HRH3 (0.53) HRH3KCNH2ADRA1AKDM4EALDH1A1
SCHEMBL19260636 0.81 HRH3 (0.56) HRH3KCNH2ADRA1AKDM4EALDH1A1
SCHEMBL19260720 0.79 HRH3 (0.54) HRH3KCNH2ADRA1AKDM4EALDH1A1
SCHEMBL19260828 0.77 HRH3 (0.54) HRH3KCNH2ADRA1AXDH
Formic Acid SCHEMBL20720694 0.76 HRH3 (0.52) HRH3KCNH2ADRA1AAURKAAURKB
SCHEMBL20720657 0.74 CACNA2D1 (0.44) HRH3KCNH2ADRA1A
SCHEMBL10809994 0.72 HRH3 (0.64) HRH3KCNH2
SCHEMBL20720718 0.72 CACNA2D1 (0.46) HRH3KCNH2ADRA1A
SCHEMBL20720751 0.72 CACNA2D1 (0.46) HRH3KCNH2ADRA1A
SCHEMBL19260675 0.71 HRH3 (0.50) HRH3KCNH2ADRA1AKDM4EALDH1A1

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 HRH3 1038/4885KCNH2 2770/4885ADRA1A 3721/4885
US-11254651-B2 Histone methyltransferase inhibitors EHMT1, EHMT2, BMI1 HRH3 1038/4885KCNH2 2770/4885ADRA1A 3721/4885

“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.