Sugi Predict

Sugi Predict / Compounds / SCHEMBL20580799

SCHEMBL20580799

SCHEMBL20580799

Nc1ccc(B(O)O)c(Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 3/20 0.37
▸ NOS3 P29474 2/20 0.37
▸ NOS1 P29475 1/20 0.37
▸ GABRP O00591 2/20 0.34
▸ GABRD O14764 2/20 0.34
▸ GABRA1 P14867 2/20 0.34
▸ GABRB1 P18505 2/20 0.34
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 0.34
▸ GABRA5 P31644 2/20 0.34
▸ GABRA3 P34903 2/20 0.34
▸ GABRA2 P47869 2/20 0.34
▸ GABRB2 P47870 2/20 0.34
▸ GABRA4 P48169 2/20 0.34
▸ GABRE P78334 2/20 0.34
▸ GABRA6 Q16445 2/20 0.34
▸ GABRG1 Q8N1C3 2/20 0.34
▸ GABRG3 Q99928 2/20 0.34
▸ GABRQ Q9UN88 2/20 0.34
▸ BACE1 P56817 3/20 0.32

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
SCHEMBL1506336 0.82 ENPP2 (0.32) ENPP2
SCHEMBL29367157 0.82 ENPP2 (0.32) ENPP2
SCHEMBL29911747 0.76 NOS2 (0.54) NOS2NOS3NOS1GABRPGABRD
SCHEMBL1922455 0.76 CCR1 (0.37) RAB9AKDM4EHTTMAPTKMT2A
SCHEMBL17027805 0.76 NOS2 (0.54) NOS2NOS3NOS1GABRPGABRD
SCHEMBL29952243 0.76 ENPP2 (0.31) ENPP2
SCHEMBL29953898 0.74 BACE1 (0.39) NOS2NOS3NOS1GABRPGABRD
SCHEMBL13260555 0.74 ENPP2 (0.30) ENPP2
SCHEMBL29952969 0.71 POLB (0.38) NPC1RAB9ATSHRHTTMAPT
SCHEMBL29951368 0.71 — —

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
WO-2018226998-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2018-12-13 — — WO disclosed
US-20180354947-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. 2018-12-13 — — 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 (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 NOS2 4091/4885NOS3 3843/4885NOS1 4257/4885
US-20210371417-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS EHMT2, EHMT1, EZH2 NOS2 4091/4885NOS3 3843/4885NOS1 4257/4885
US-20180354947-A1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS EHMT2, EHMT1, EZH2 NOS2 4091/4885NOS3 3843/4885NOS1 4257/4885

“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.