SCHEMBL2424191

SCHEMBL2424191

CN(C(=O)OC(C)(C)C)c1ncc[nH]1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.35
SSTR4 P31391 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
AAK1 Q2M2I8 1/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
BRD4 O60885 2/20 0.31
CREBBP Q92793 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CACNA1G O43497 1/20 0.30
CACNA1B Q00975 1/20 0.30
CACNA1C Q13936 1/20 0.30
HTR1A P08908 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
JAK1 P23458 1/20 0.30

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
SCHEMBL1853863 0.77 LMNA (0.38) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL391774 0.75 ALDH1A1 (0.37) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9440949 0.75 ALDH1A1 (0.37) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL753605 0.74 UCHL1 (0.33) SMN1; SMN2JAK1
SCHEMBL7969416 0.72 NPC1 (0.36) SSTR4AAK1NPC1RAB9ACACNA1G
SCHEMBL9289335 0.71 F2 (0.35) SSTR4HTR1ATAAR1L3MBTL1
SCHEMBL7969408 0.71 NPC1 (0.35) SSTR4ALDH1A1AAK1NPC1RAB9A
SCHEMBL10612608 0.70 NPC1 (0.33) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9223865 0.70 NPC1 (0.35) SSTR4ALDH1A1AAK1NPC1RAB9A
SCHEMBL2429665 0.69 NPC1 (0.45) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999716-B2 WDR5 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2024-06-04 US disclosed
US-20240101535-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF ETERN BIOPHARMA (SHANGHAI) CO., LTD. (CN) 2024-03-28 US disclosed
EP-4261211-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF Etern Biopharma (Shanghai) Co., Ltd. (CN) 2023-10-18 EP disclosed
EP-4261211-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF Etern Biopharma (Shanghai) Co., Ltd. (CN) 2023-10-18 EP disclosed
CN-116783188-A Dihydro-isoquinolone derivative and application thereof 上海奕拓医药科技有限责任公司 2023-09-19 CN disclosed
US-20230012362-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-12 US disclosed
WO-2022122037-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF 上海奕拓医药科技有限责任公司 2022-06-16 WO disclosed
WO-2022122037-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF 上海奕拓医药科技有限责任公司 2022-06-16 WO disclosed
EP-1605752-B1 Sulfonamides for the treatment of congestive heart failure, their compositions and uses. CYTOKINETICS INC (US) 2011-09-14 EP 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-20240101535-A1 DIHYDROISOQUINOLINONE DERIVATIVE AND APPLICATION THEREOF WDR5, WDR1, WDR77 PAX8 2173/4885SSTR4 4797/4885ALDH1A1 2947/4885
US-20230012362-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR77 PAX8 2246/4885SSTR4 4868/4885ALDH1A1 3516/4885
US-11999716-B2 WDR5 inhibitors and modulators WDR5, WDR1, WDR3 PAX8 2320/4885SSTR4 4864/4885ALDH1A1 3561/4885

“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.