SCHEMBL20720692

SCHEMBL20720692

Nc1c2c(nc3ccccc13)CCC2OC=O

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
ALDH1A1 P00352 1/20 0.53
NR3C1 P04150 1/20 0.53
KCNH2 Q12809 1/20 0.53

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
SCHEMBL20720672 0.79 ACHE (0.51) ACHECYP1A2CYP2C9TSHRALDH1A1
SCHEMBL9039716 0.77 ACHE (0.51) ACHECYP1A2CYP2C9TSHRALDH1A1
SCHEMBL28984958 0.75 CYP1A2 (0.65) ACHECYP1A2CYP2C9TSHRALDH1A1
SCHEMBL20720783 0.72 CYP1A2 (0.58) ACHECYP1A2CYP2C9TSHRALDH1A1
SCHEMBL5083430 0.72 ACHE (0.66) ACHECYP1A2CYP2C9TSHRALDH1A1
SCHEMBL9042096 0.72 CYP1A2 (0.60) ACHECYP1A2CYP2C9TSHRALDH1A1
SCHEMBL3807927 0.71 CYP1A2 (0.72) ACHECYP1A2CYP2C9TSHRALDH1A1
SCHEMBL9738138 0.70 CYP1A2 (0.58) ACHECYP1A2CYP2C9TSHRALDH1A1
SCHEMBL7935382 0.70 CYP1A2 (0.58) ACHECYP1A2CYP2C9TSHRALDH1A1
SCHEMBL9041102 0.70 CYP1A2 (0.58) ACHECYP1A2CYP2C9TSHRALDH1A1

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 2 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
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 3056/4885CYP1A2 4681/4885CYP2C9 4519/4885
US-11254651-B2 Histone methyltransferase inhibitors EHMT1, EHMT2, BMI1 ACHE 3056/4885CYP1A2 4681/4885CYP2C9 4519/4885

“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.