SCHEMBL2312441

SCHEMBL2312441

Cc1cccc2cc(C(=O)O)c(Cl)nc12

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51
KDR P35968 10/20 0.49
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
MCL1 Q07820 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.47
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45

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
SCHEMBL1881176 0.87 KDR (0.49) MAPTMEN1KMT2ANPC1GAA
SCHEMBL14678041 0.85 KEAP1 (0.49) MAPTMEN1KMT2AGAASMN1; SMN2
SCHEMBL29058294 0.83 ALDH1A1 (0.52) MAPTMEN1KMT2APOLBHTT
SCHEMBL26617907 0.83 KEAP1 (0.47) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL2804814 0.82 KDM4E (0.45) MAPTMEN1KMT2ANPC1GAA
SCHEMBL20963260 0.82 FAAH (0.54) MAPTMEN1KMT2ANPC1GAA
SCHEMBL7623210 0.81 ALDH1A1 (0.44) MAPTMEN1KMT2ANPC1GAA
SCHEMBL28235435 0.80 KEAP1 (0.45) KDM4EKEAP1NFE2L2
SCHEMBL5459806 0.80 ALDH1A1 (0.50) KMT2APOLBHTTKDM4E
SCHEMBL18702739 0.79 KEAP1 (0.46) MAPTMEN1KMT2AGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118852160-A Tricyclic amide compound, preparation method and application 世华合创生物技术开发(山东)有限公司 2024-10-29 CN disclosed
CN-114585628-B Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2024-03-26 CN disclosed
US-20220313698-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2022-10-06 US disclosed
EP-4013759-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2022-06-22 EP disclosed
CN-114585628-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2022-06-03 CN disclosed
WO-2021030556-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-18 WO disclosed
WO-2021030556-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-18 WO disclosed
CN-108430994-A Compound, composition and method for adjusting CFTR 蛋白质平衡治疗股份有限公司 2018-08-21 CN disclosed
WO-2012164085-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-12-06 WO disclosed
US-8288549-B2 Glycine B antagonist MERZ PHARMA GMBH & CO. KGAA (DE) 2012-10-16 US disclosed
US-20110190342-A1 GLYCINE B ANTAGONIST HENRICH MARKUS 2011-08-04 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 (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-20220313698-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B MAPT 4877/4885MEN1 4687/4885KMT2A 4654/4885
US-20110190342-A1 GLYCINE B ANTAGONIST GRIN2B, GLRB, GRIN2A MAPT 1267/4885MEN1 808/4885KMT2A 1700/4885

“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.