SCHEMBL20580943

SCHEMBL20580943

COc1ccc(-c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])cn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.51
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 2/20 0.48
HTR1A P08908 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 1/20 0.46
ERN1 O75460 1/20 0.46
CYP19A1 P11511 2/20 0.45
CYP11B1 P15538 2/20 0.45
CYP11B2 P19099 2/20 0.45
PTGES O14684 2/20 0.45
CHEK1 O14757 1/20 0.44
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
PABPC1 P11940 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL20580707 0.89 MEN1 (0.48) ABCB1MEN1KMT2AALDH1A1HTR1A
SCHEMBL20581130 0.88 MEN1 (0.48) ABCB1MEN1KMT2AALDH1A1HTR1A
SCHEMBL20581142 0.86 KMT2A (0.50) ABCB1MEN1KMT2AALDH1A1HTR1A
SCHEMBL20581018 0.85 CYP11B1 (0.64) ABCB1MEN1KMT2AALDH1A1MAPT
SCHEMBL20581195 0.85 CYP19A1 (0.49) ABCB1MEN1KMT2AALDH1A1HTR1A
SCHEMBL20581385 0.84 CYP11B1 (0.61) ABCB1MEN1KMT2AALDH1A1HTR1A
SCHEMBL6364038 0.83 PTGES (0.49) ABCB1MEN1KMT2AALDH1A1HTR1A
SCHEMBL1031014 0.81 PTGES (0.49) ABCB1MEN1KMT2AALDH1A1HTR1A
SCHEMBL31756984 0.79 MEN1 (0.56) ABCB1MEN1KMT2AALDH1A1HTR1A
SCHEMBL10585706 0.79 MEN1 (0.56) ABCB1MEN1KMT2AALDH1A1HTR1A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3634962-B1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-05-24 EP disclosed
US-20210371417-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2021-12-02 US disclosed
US-11111243-B2 Azaindole compounds as histone methyltransferase inhibitors GLOBAL BLOOD THERAPEUTICS, INC. (US) 2021-09-07 US disclosed
EP-3634962-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS Global Blood Therapeutics, Inc. (US) 2020-04-15 EP disclosed
CN-110997671-A Azaindole compounds as histone methyltransferase inhibitors 全球血液疗法股份有限公司 2020-04-10 CN disclosed
US-20180354947-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2018-12-13 US disclosed
WO-2018226998-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-12-13 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 (3 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-11111243-B2 Azaindole compounds as histone methyltransferase inhibitors EHMT2, EHMT1, EZH2 ABCB1 1499/4885MEN1 457/4885KMT2A 5/4885
US-20210371417-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS EHMT2, EHMT1, EZH2 ABCB1 1499/4885MEN1 457/4885KMT2A 5/4885
US-20180354947-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS EHMT2, EHMT1, EZH2 ABCB1 1499/4885MEN1 457/4885KMT2A 5/4885

“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.