SCHEMBL7819657

SCHEMBL7819657

COc1cc(Br)nc(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
PDE2A O00408 1/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
CYP1A1 P04798 4/20 0.36
CYP1B1 Q16678 4/20 0.36
AR P10275 2/20 0.36
CYP1A2 P05177 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL1424963 0.87 ALDH1A1 (0.53) ALDH1A1L3MBTL1LMNASMN1; SMN2KDM4E
SCHEMBL3401912 0.85 ALDH1A1 (0.56) ALDH1A1L3MBTL1PDE2ALMNASMN1; SMN2
SCHEMBL8962911 0.83 ALDH1A1 (0.48) ALDH1A1L3MBTL1LMNASMN1; SMN2KDM4E
SCHEMBL29452983 0.82 ALDH1A1 (0.53) ALDH1A1L3MBTL1PDE2ALMNASMN1; SMN2
SCHEMBL8773240 0.81 L3MBTL1 (0.49) ALDH1A1L3MBTL1LMNASMN1; SMN2KDM4E
SCHEMBL7241847 0.81 ALDH1A1 (0.46) ALDH1A1L3MBTL1SMN1; SMN2KDM4ERAB9A
SCHEMBL21815761 0.80 SIRT6 (0.38) ALDH1A1KDM4ERAB9AMEN1KMT2A
SCHEMBL12336074 0.79 ALDH1A1 (0.43) ALDH1A1L3MBTL1LMNAKDM4ERAB9A
SCHEMBL27769272 0.79 L3MBTL1 (0.44) ALDH1A1L3MBTL1PDE2ALMNASMN1; SMN2
SCHEMBL2088106 0.77 NOS3 (0.45) ALDH1A1L3MBTL1SMN1; SMN2KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260098060-A1 MACROCYCLIC CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2026-04-09 US disclosed
EP-4587443-A1 MACROCYCLIC CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2025-07-23 EP disclosed
CN-120058708-A Alkynyl alcohol derivative and medical application thereof 中国药科大学 2025-05-30 CN disclosed
WO-2024056798-A1 MACROCYCLIC CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-03-21 WO disclosed
US-20230203019-A1 Piperazine Cyclic Ureas SIRONAX (BEIJING) CO., LTD. (CN) 2023-06-29 US disclosed
US-20230203019-A1 Piperazine Cyclic Ureas SIRONAX (BEIJING) CO., LTD. (CN) 2023-06-29 US disclosed
CN-106083738-A A kind of method utilizing phase transfer catalyst to prepare herbicide bispyribac-sodium 淄博新农基农药化工有限公司 2016-11-09 CN disclosed
CN-1136217-C 4-aryloxindoles as inhibitor of JNK protein kinases - 2004-01-28 CN disclosed
CN-1330648-A 4-aryloxindoles as inhibitor of JNK protein kinases HOFFMANN LA ROCKE AG F (CH) 2002-01-09 CN disclosed
EP-1149093-A1 4-ARYLOXINDOLES AS INHIBITORS OF JNK PROTEIN KINASES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
US-6307056-B1 INHIBIT OR MODULATE PROTEIN KINASES, IN PARTICULAR JNK PROTEIN KINASES. HOFFMAN-LA ROCHE INC. 2001-10-23 US disclosed
WO-2000035909-A1 4-ARYLOXINDOLES AS INHIBITORS OF JNK PROTEIN KINASES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 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 (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-20260098060-A1 MACROCYCLIC CFTR MODULATORS CFTR, CLIC1, ARRB1 ALDH1A1 1794/4885L3MBTL1 4158/4885PDE2A 726/4885
US-20230203019-A1 Piperazine Cyclic Ureas RIPK1, RIPK3, RIPK4 ALDH1A1 3602/4885L3MBTL1 4087/4885PDE2A 1578/4885

“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.