Sugi Predict

Sugi Predict / Compounds / SCHEMBL4002932

SCHEMBL4002932

SCHEMBL4002932

CCOC(=O)c1ccc(Cc2ccccc2C(=O)OC)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ GAA P10253 1/20 0.55
▸ KMT2A Q03164 4/20 0.54
▸ MAPT P10636 6/20 0.53
▸ RAB9A P51151 4/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ PKM P14618 1/20 0.53
▸ CRHBP P24387 1/20 0.53
▸ CRHR2 Q13324 1/20 0.53
▸ PTGER4 P35408 1/20 0.53
▸ LMNA P02545 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ PDGFRB P09619 1/20 0.47
▸ FGFR1 P11362 1/20 0.47
▸ PDGFRA P16234 1/20 0.47
▸ FLT1 P17948 1/20 0.47
▸ FGFR3 P22607 1/20 0.47
▸ KDR P35968 1/20 0.47

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
SCHEMBL6703941 0.82 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2KMT2AMAPTLMNA
SCHEMBL7473558 0.82 KMT2A (0.56) ALDH1A1SMN1; SMN2GAAKMT2AMAPT
SCHEMBL25666676 0.82 SMN1; SMN2 (0.59) ALDH1A1SMN1; SMN2KMT2AMAPTRAB9A
SCHEMBL6698821 0.81 AKR1C3 (0.53) ALDH1A1SMN1; SMN2KMT2AMAPTRAB9A
SCHEMBL4003993 0.80 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2GAAKMT2AMAPT
SCHEMBL4007748 0.79 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2GAAKMT2AMAPT
SCHEMBL6336196 0.79 LMNA (0.61) ALDH1A1SMN1; SMN2GAAKMT2AMAPT
SCHEMBL5365179 0.79 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2KMT2AMAPTPKM
SCHEMBL23242577 0.78 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2KMT2AMAPTRAB9A
SCHEMBL29893548 0.78 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2KMT2AMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 — — US disclosed
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 — — US disclosed
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES INC (US) 2024-01-25 — — US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 — — US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 — — US disclosed
US-11814376-B2 Hepatitis b core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2023-11-14 — — US disclosed
US-20230044112-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2023-02-09 — — US disclosed
US-20230044112-A1 HEPATITIS B CORE PROTEIN MODULATORS ASSEMBLY BIOSCIENCES, INC. (US) 2023-02-09 — — US disclosed
US-10968211-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2021-04-06 — — US disclosed
US-10968211-B2 Hepatitis B core protein modulators ASSEMBLY BIOSCIENCES, INC. (US) 2021-04-06 — — US disclosed
EP-1937677-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE Arcadia Pharmaceuticals Inc. (US) 2008-07-02 — — EP disclosed
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 — — US disclosed
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 — — US disclosed
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 — — US disclosed
US-20070106074-A1 Iron catalyzed cross-coupling reactions of imidoyl derivatives ACADIA PHARMACEUTICALS 2007-05-10 — — US disclosed
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 — — US disclosed
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 — — US disclosed
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 — — US disclosed
WO-2007047737-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2007-04-26 — — WO disclosed
WO-2007047737-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2007-04-26 — — 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 (7 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-20070106074-A1 Iron catalyzed cross-coupling reactions of imidoyl derivatives SDHB, TFRC, SLC40A1 ALDH1A1 1576/4885SMN1; SMN2 3851/4885GAA 2189/4885
US-20070105819-A1 CB-1 modulating compounds and their use CNR1, CNR2, FAAH ALDH1A1 888/4885SMN1; SMN2 2143/4885GAA 2864/4885
US-20240025890-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS ALDH1A1 4316/4885SMN1; SMN2 4557/4885GAA 2698/4885
US-20230044112-A1 HEPATITIS B CORE PROTEIN MODULATORS HAVCR2, FABP1, MAVS ALDH1A1 4316/4885SMN1; SMN2 4557/4885GAA 2698/4885
US-10968211-B2 Hepatitis B core protein modulators HAVCR2, FABP1, MAVS ALDH1A1 4316/4885SMN1; SMN2 4557/4885GAA 2698/4885
US-11814376-B2 Hepatitis b core protein modulators HAVCR2, FABP1, MAVS ALDH1A1 4316/4885SMN1; SMN2 4557/4885GAA 2698/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH ALDH1A1 888/4885SMN1; SMN2 2143/4885GAA 2864/4885

“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.