SCHEMBL8961063

SCHEMBL8961063

CCCNC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.68
KIF11 P52732 1/20 0.63
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR1A P08908 1/20 0.41
CYP2D6 P10635 1/20 0.41
SCN1A P35498 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN2A Q99250 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SCN3A Q9NY46 1/20 0.41
DUT P33316 2/20 0.41
SIGMAR1 Q99720 1/20 0.38
KMT2A Q03164 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
MAPK1 P28482 1/20 0.34

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
SCHEMBL14288491 0.87 KCNN4 (0.63) KCNN4KIF11LMNAHTTL3MBTL1
SCHEMBL12264131 0.85 KIF11 (0.74) KCNN4KIF11TDP1DUTKMT2A
SCHEMBL20644264 0.85 KCNN4 (0.61) KCNN4KIF11HTTDUTSIGMAR1
SCHEMBL29788846 0.84 KCNN4 (0.59) KCNN4KIF11HTTDUTSIGMAR1
Bromide SCHEMBL31502532 0.84 KCNN4 (0.59) KCNN4KIF11HTTDUTSIGMAR1
SCHEMBL14288493 0.84 KCNN4 (0.59) KCNN4KIF11HTTDUTSIGMAR1
SCHEMBL12264133 0.81 KIF11 (0.68) KCNN4KIF11DUTSIGMAR1TAAR1
SCHEMBL2490805 0.81 KCNN4 (1.00) KCNN4KIF11DUTTAAR1MAPK1
SCHEMBL15577798 0.81 KCNN4 (0.67) KCNN4KIF11LMNAHTTL3MBTL1
SCHEMBL4403153 0.80 KCNN4 (0.48) KCNN4KIF11LMNAHTTL3MBTL1

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-20210187003-A1 EXON SKIPPING OLIGOMERS FOR MUSCULAR DYSTROPHY SAREPTA THERAPEUTICS, INC. 2021-06-24 US disclosed
EP-3784666-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF Merck Patent GmbH (DE) 2021-03-03 EP disclosed
CN-108892682-B Organic fluorescent small molecule film material and application thereof in TATP, DNT and TNT fluorescence detection 吉林大学 2020-11-13 CN disclosed
US-20170119638-A1 MELANOGENESIS INHIBITOR COMPRISING D-PANTOTHENYL ALCOHOL, AND SKIN-WHITENING COSMETIC CONTAINING SAME MELANOGENESIS INHIBITOR POLA CHEMICAL INDUSTRIES, INC. (JP) 2017-05-04 US disclosed
WO-2010017060-A1 UREA DERIVATIVES AS ANTIBACTERIAL AGENTS SCHERING CORPORATION (US) 2010-02-11 WO disclosed
EP-1368315-B1 METHOD FOR PREPARING AMLODIPINE HANMI PHARM IND CO LTD (KR) 2007-10-17 EP disclosed
EP-0435749-B1 Derivatives of 2-aminopyrimidine-4-carboxamide, their preparation and therapeutic use SYNTHELABO (FR) 1996-01-10 EP disclosed
EP-0480794-A1 2-Aminopyrimidine-4-carboxamide derivatives, their preparation and therapeutic use SYNTHELABO (FR) 1992-04-15 EP disclosed
EP-0342541-A2 Retroviral protease inhibitors ABBOTT LABORATORIES (US) 1989-11-23 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 (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-20170119638-A1 MELANOGENESIS INHIBITOR COMPRISING D-PANTOTHENYL ALCOHOL, AND SKIN-WHITENING COSMETIC CONTAINING SAME MELANOGENESIS INHIBITOR MC1R, TYR, NAMPT KCNN4 4094/4885KIF11 3669/4885LMNA 1637/4885
US-20210187003-A1 EXON SKIPPING OLIGOMERS FOR MUSCULAR DYSTROPHY RBM17, UTRN, UPF1 KCNN4 2392/4885KIF11 2281/4885LMNA 553/4885

“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.