SCHEMBL7928482

SCHEMBL7928482

CCc1cc(C#N)cc(CC)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 2/20 0.45
CYP2A6 P11509 1/20 0.41
TTR P02766 2/20 0.37
ALB P02768 2/20 0.37
VCAM1 P19320 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
PGR P06401 2/20 0.33
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 1/20 0.33
KCNH2 Q12809 1/20 0.33
GPR35 Q9HC97 1/20 0.33
AR P10275 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32

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
SCHEMBL1175919 0.88 ALDH1A1 (0.57) HTTALDH1A1MAPTPOLBCYP2A6
SCHEMBL27673167 0.86 HTT (0.40) HTTALDH1A1MAPTPOLBCYP2A6
SCHEMBL15173739 0.86 HTT (0.40) HTTALDH1A1MAPTPOLBCYP2A6
SCHEMBL22014711 0.83 HTT (0.38) HTTALDH1A1MAPTPOLBCYP2A6
SCHEMBL7930485 0.83 HRH4 (0.40) HTTALDH1A1MAPTPOLBCYP2A6
SCHEMBL7821894 0.82 GABRP (0.42) HTTALDH1A1MAPTGPR35XDH
SCHEMBL2154258 0.81 CYP2A6 (0.44) HTTALDH1A1MAPTPOLBCYP2A6
SCHEMBL7927098 0.79 TSHR (0.39) HTTALDH1A1MAPTNOS2MEN1
SCHEMBL24017172 0.79 CYP2A6 (0.43) HTTALDH1A1MAPTPOLBCYP2A6
SCHEMBL2154515 0.79 CYP2A6 (0.43) HTTALDH1A1MAPTCYP2A6TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11760735-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2023-09-19 US disclosed
US-11760735-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2023-09-19 US disclosed
US-11760735-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2023-09-19 US disclosed
US-20230099258-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM THERAPEUTICS, INC. 2023-03-30 US disclosed
US-11339136-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2022-05-24 US disclosed
US-11339136-B2 Compounds and compositions for treating conditions associated with NLRP activity NOVARTIS AG (CH) 2022-05-24 US disclosed
EP-3445757-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RES INC (US) 2020-11-25 EP disclosed
EP-3445757-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RES INC (US) 2020-11-25 EP disclosed
US-20190119224-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2019-04-25 US disclosed
US-20190119224-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2019-04-25 US disclosed
WO-2017184624-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM THERAPEUTICS, INC (US) 2017-10-26 WO disclosed
WO-2017184624-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM THERAPEUTICS, INC (US) 2017-10-26 WO disclosed
EP-0661350-B1 Quinizarin compound, method for production thereof, and use therefor NIPPON CATALYTIC CHEM IND (JP) 2001-08-22 EP disclosed
US-5968688-A RESINS AND DYES FOR COLOR FILTERS NIPPON SHOKUBAI CO., LTD. (JP) 1999-10-19 US disclosed
US-5817843-A Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1998-10-06 US disclosed
EP-0833203-A1 Color filter grade photosensitive resin coloring composition, and color filter using the same NIPPON SHOKUBAI CO., LTD. (JP) 1998-04-01 EP disclosed
US-5608091-A SHEETS FOR HEAT EXCHANGING AND OPTICAL RECORDING MATERIAL NIPPON SHOKUBAI CO., LTD. (JP) 1997-03-04 US disclosed
EP-0661350-A1 Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1995-07-05 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 (4 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-20230099258-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 HTT 2340/4885ALDH1A1 2031/4885MAPT 1610/4885
US-11760735-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP1, NLRP3, NOD1 HTT 2340/4885ALDH1A1 2031/4885MAPT 1610/4885
US-20190119224-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 HTT 2340/4885ALDH1A1 2031/4885MAPT 1610/4885
US-11339136-B2 Compounds and compositions for treating conditions associated with NLRP activity NLRP1, NLRP3, NOD1 HTT 2340/4885ALDH1A1 2031/4885MAPT 1610/4885

“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.