SCHEMBL6677412

SCHEMBL6677412

CN(C)C(=O)c1ccccc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
ALDH1A1 P00352 1/20 0.65
BCAT2 O15382 1/20 0.57
KEAP1 Q14145 1/20 0.54
TACR1 P25103 2/20 0.54
CHRNB2 P17787 2/20 0.50
CHRNB4 P30926 2/20 0.50
CHRNA3 P32297 2/20 0.50
CHRNA4 P43681 2/20 0.50
ATR Q13535 1/20 0.49
HNF4A P41235 1/20 0.48
RAB9A P51151 1/20 0.47
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47
SCN1A P35498 3/20 0.46
SCN2A Q99250 3/20 0.46
SCN3A Q9NY46 3/20 0.46
ABCB1 P08183 1/20 0.46

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
SCHEMBL30463435 1.00 MEN1 (1.00) MEN1KMT2ASMN1; SMN2ALDH1A1BCAT2
Hydrochloric Acid SCHEMBL20578422 0.98 MEN1 (0.96) MEN1KMT2ASMN1; SMN2ALDH1A1BCAT2
SCHEMBL7445918 0.92 MEN1 (0.86) MEN1KMT2ASMN1; SMN2ALDH1A1BCAT2
Hydrogen Sulfide SCHEMBL28029146 0.91 MEN1 (0.83) MEN1KMT2ASMN1; SMN2ALDH1A1BCAT2
SCHEMBL3760398 0.85 MEN1 (0.74) MEN1KMT2ASMN1; SMN2ALDH1A1BCAT2
SCHEMBL23169604 0.85 MEN1 (0.74) MEN1KMT2ASMN1; SMN2ALDH1A1BCAT2
SCHEMBL30892695 0.85 MEN1 (0.74) MEN1KMT2ASMN1; SMN2ALDH1A1BCAT2
SCHEMBL30603819 0.85 KMT2A (0.74) MEN1KMT2ASMN1; SMN2ALDH1A1BCAT2
SCHEMBL5318803 0.85 MEN1 (0.74) MEN1KMT2ASMN1; SMN2ALDH1A1BCAT2
SCHEMBL15849713 0.85 MEN1 (0.73) MEN1KMT2ASMN1; SMN2ALDH1A1BCAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110072850-B 3-sulfonyl-5-aminopyridine-2, 4-diol APJ agonists 百时美施贵宝公司 2023-07-21 CN claimed
JP-57200338-A None JP disclosed
US-20240083857-A1 2-Methyl-Quinazolines Bayer Pharma AG (DE) 2024-03-14 US disclosed
CN-110072850-B 3-sulfonyl-5-aminopyridine-2, 4-diol APJ agonists 百时美施贵宝公司 2023-07-21 CN disclosed
CN-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed
CN-112118841-A Spirocyclic ROR-gamma modulators 爱思凯利尔生物科学私人有限责任公司 2020-12-22 CN disclosed
EP-3710159-A1 CATALYST COMPONENTS FOR PROPYLENE POLYMERIZATION W. R. Grace & Co. - Conn. (US) 2020-09-23 EP disclosed
CN-105073745-B glucosylceramide synthase inhibitors 建新公司 2018-06-29 CN disclosed
US-20120302752-A1 Compounds and Methods for Catalytic Directed ortho Substitution of Aromatic Amides and Esters QUEEN'S UNIVERSITY AT KINGSTON (CA) 2012-11-29 US disclosed
US-20110182854-A1 HCV PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2011-07-28 US disclosed
CN-100553929-C Improved vehicle structural members and methods of making the same DOW GLOBAL TECHNOLOGIES INC (US) 2009-10-28 CN disclosed
EP-1472226-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-03 EP disclosed
WO-2003045921-A1 HETEROCYCLIC AMIDE COMPOUNDS AS APOLIPOPROTEIN B INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-05 WO disclosed
US-4473709-A Pyrethroid intermediates and process FMC CORPORATION (US) 1984-09-25 US disclosed
JP-S57200338-A PREPARATION OF AMIDE MITSUBISHI PETROCHEM CO LTD 1982-12-08 JP 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-20240083857-A1 2-Methyl-Quinazolines NRAS, KRAS, KSR2 MEN1 403/4885KMT2A 834/4885SMN1; SMN2 3477/4885
US-20120302752-A1 Compounds and Methods for Catalytic Directed ortho Substitution of Aromatic Amides and Esters DDC, AOC2, AOC3 MEN1 4327/4885KMT2A 1382/4885SMN1; SMN2 3846/4885
US-20110182854-A1 HCV PROTEASE INHIBITORS SERPINB1, CTSC, HPN MEN1 4685/4885KMT2A 4291/4885SMN1; SMN2 4263/4885

“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.