Sugi Predict

Sugi Predict / Compounds / SCHEMBL288509

SCHEMBL288509

SCHEMBL288509

CC1(OC(=O)Oc2ccc([N+](=O)[O-])cc2)CCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.51
▸ HTR2A P28223 1/20 0.49
▸ BCL9 O00512 1/20 0.49
▸ CTNNB1 P35222 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ MGLL Q99685 2/20 0.44
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ THRB P10828 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41

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
SCHEMBL3373334 0.97 GAA (0.51) GAAHTR2ABCL9CTNNB1SMN1; SMN2
SCHEMBL14974562 0.96 GAA (0.50) GAAHTR2ABCL9CTNNB1SMN1; SMN2
SCHEMBL287764 0.94 GAA (0.54) GAAHTR2ABCL9CTNNB1SMN1; SMN2
SCHEMBL14975215 0.87 GAA (0.48) GAAHTR2ABCL9CTNNB1SMN1; SMN2
SCHEMBL15232712 0.84 GAA (0.50) GAAHTR2ABCL9CTNNB1SMN1; SMN2
SCHEMBL29880603 0.82 ALDH1A1 (0.48) GAAHTR2ABCL9CTNNB1SMN1; SMN2
SCHEMBL29716297 0.81 BCL9 (0.51) GAAHTR2ABCL9CTNNB1SMN1; SMN2
SCHEMBL3369240 0.81 GAA (0.43) GAAHTR2ABCL9CTNNB1SMN1; SMN2
SCHEMBL288139 0.80 BCL9 (0.54) GAAHTR2ABCL9CTNNB1SMN1; SMN2
SCHEMBL8888100 0.80 KDM4E (0.41) GAASMN1; SMN2ALDH1A1CYP1A2MAPT

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441762-B2 Hepatitis c virus NS3/4A protease inhibitors UNIVERSITY OF MASSACHUSETTS (US) 2025-10-14 — — US disclosed
US-12264147-B2 Substituted carboxamides as inhibitors of WDR5 protein-protein binding Propellon Therapeutics Inc. (CA) 2025-04-01 — — US disclosed
US-20230219926-A1 SUBSTITUTED CARBOXAMIDES AS INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING FACIT INC. (CA) 2023-07-13 — — US disclosed
EP-3423451-B1 INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING PROPELLON THERAPEUTICS INC (CA) 2022-08-17 — — EP disclosed
CN-109195965-B Inhibitors of WDR5 protein-protein binding 普罗佩纶治疗公司 2022-07-26 — — CN disclosed
US-20220227806-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS UNIV MASSACHUSETTS (US) 2022-07-21 — — US disclosed
US-11319299-B2 Substituted carboxamides as inhibitors of WDR5 protein-protein binding Propellon Therapeutics Inc. (CA) 2022-05-03 — — US disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 — — US disclosed
WO-2012041158-A1 TRICYCLIC COMPOUND, PREPARATION METHOD AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-04-05 — — WO disclosed
EP-2427448-A1 Gpr 119 modulators Pfizer Inc. (US) 2012-03-14 — — EP disclosed
US-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 — — US disclosed
US-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 — — US disclosed
US-20120052130-A1 GPR 119 MODULATORS PFIZER INC. 2012-03-01 — — US disclosed
WO-2010128414-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 — — WO disclosed
WO-2010128414-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 — — WO disclosed
WO-2010128425-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 — — WO disclosed
WO-2010128425-A1 GPR 119 MODULATORS PFIZER INC. (US) 2010-11-11 — — WO disclosed
US-20100285145-A1 GPR 119 MODULATORS PFIZER INC 2010-11-11 — — US disclosed
US-20100285145-A1 GPR 119 MODULATORS PFIZER INC 2010-11-11 — — US disclosed
US-20100285145-A1 GPR 119 MODULATORS PFIZER INC 2010-11-11 — — 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 (8 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-11319299-B2 Substituted carboxamides as inhibitors of WDR5 protein-protein binding WDR5, WDR82, WDR1 GAA 2719/4885HTR2A 3796/4885BCL9 731/4885
US-20120052130-A1 GPR 119 MODULATORS GPR119, GPR39, GPR65 GAA 1151/4885HTR2A 561/4885BCL9 1057/4885
US-12264147-B2 Substituted carboxamides as inhibitors of WDR5 protein-protein binding WDR5, WDR82, WDR1 GAA 2719/4885HTR2A 3796/4885BCL9 731/4885
US-20100285145-A1 GPR 119 MODULATORS GPR119, GPR65, GPR39 GAA 999/4885HTR2A 433/4885BCL9 1831/4885
US-12441762-B2 Hepatitis c virus NS3/4A protease inhibitors HAVCR2, CTSC, DPP4 GAA 294/4885HTR2A 3305/4885BCL9 807/4885
US-20220227806-A1 HEPATITIS C VIRUS NS3/4A PROTEASE INHIBITORS HAVCR2, CTSC, DPP4 GAA 294/4885HTR2A 3305/4885BCL9 807/4885
US-20230219926-A1 SUBSTITUTED CARBOXAMIDES AS INHIBITORS OF WDR5 PROTEIN-PROTEIN BINDING WDR5, WDR82, WDR1 GAA 2719/4885HTR2A 3796/4885BCL9 731/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 GAA 151/4885HTR2A 4623/4885BCL9 2453/4885

“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.

Send feedback