SCHEMBL8196836

SCHEMBL8196836

CC(C)C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
TSHR P16473 1/20 0.59
CASP1 P29466 1/20 0.59
ALDH1A1 P00352 5/20 0.53
MAPK1 P28482 1/20 0.53
HIF1A Q16665 1/20 0.53
MAPT P10636 4/20 0.52
KDM4E B2RXH2 1/20 0.52
GAA P10253 1/20 0.51
POLB P06746 3/20 0.49
THRB P10828 1/20 0.49
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
ALOX12 P18054 1/20 0.48
RAB9A P51151 2/20 0.47
CYP3A4 P08684 1/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL30209768 1.00 SMN1; SMN2 (0.59) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1
SCHEMBL13494354 0.86 SMN1; SMN2 (0.57) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1
SCHEMBL3130853 0.86 SMN1; SMN2 (0.57) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1
SCHEMBL1922201 0.85 SMN1; SMN2 (0.55) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1
SCHEMBL8168081 0.84 ALDH1A1 (0.59) SMN1; SMN2TSHRCASP1ALDH1A1MAPT
SCHEMBL9652056 0.84 SMN1; SMN2 (0.50) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1
SCHEMBL14039216 0.82 HPGD (0.47) SMN1; SMN2ALDH1A1MAPTKMT2AMEN1
SCHEMBL12438177 0.82 HSD17B10 (0.45) SMN1; SMN2TSHRALDH1A1MAPTKDM4E
SCHEMBL12438178 0.82 KDM4E (0.47) SMN1; SMN2TSHRCASP1ALDH1A1HIF1A
SCHEMBL13494263 0.82 SMN1; SMN2 (0.52) SMN1; SMN2TSHRCASP1ALDH1A1MAPK1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230233541-A1 SUBSTITUTED BENZAMIDES AS MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. 2023-07-27 US disclosed
US-20230233541-A1 SUBSTITUTED BENZAMIDES AS MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. 2023-07-27 US disclosed
US-20230233541-A1 SUBSTITUTED BENZAMIDES AS MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. 2023-07-27 US disclosed
EP-4157821-A1 SUBSTITUTED BENZAMIDES AS MODULATORS OF TREX1 Constellation Pharmaceuticals, Inc. (US) 2023-04-05 EP disclosed
CN-115867535-A Substituted benzamides as modulators of TREX1 星座制药公司 2023-03-28 CN disclosed
WO-2021243001-A1 SUBSTITUTED BENZAMIDES AS MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. (US) 2021-12-02 WO disclosed
WO-2021243001-A1 SUBSTITUTED BENZAMIDES AS MODULATORS OF TREX1 CONSTELLATION PHARMACEUTICALS, INC. (US) 2021-12-02 WO disclosed
US-9732029-B2 Nitroso compounds as nitroxyl donors and methods of use thereof CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-9732029-B2 Nitroso compounds as nitroxyl donors and methods of use thereof CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-9725402-B2 Nitroso compounds as nitroxyl donors and methods of use thereof CARDIOXYL PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION 2007-10-04 US disclosed
US-7244721-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-07-17 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 US disclosed
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION CORVAS INTERNATIONAL, LTD. 2007-02-08 US disclosed
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 US disclosed
US-6093851-A N-(α-alkylbenzylidene)-α-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2000-07-25 US disclosed
EP-0735018-B1 N-(alpha-alkylbenzylidene)-alpha-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL CO (JP) 1999-07-21 EP disclosed
US-5739401-A N-(α-alkylbenzylidene)-α-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-04-14 US disclosed
EP-0735018-A1 N-(alpha-alkylbenzylidene)-alpha-phenylalkylamine, its use and process for producing the same and process for producing intermediate therefor SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed
US-5159089-A Using a sulfur methylide compound SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1992-10-27 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 (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-20230233541-A1 SUBSTITUTED BENZAMIDES AS MODULATORS OF TREX1 TREH, BRIX1, GBA1 SMN1; SMN2 373/4885TSHR 1161/4885CASP1 514/4885
US-20070232549-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP SMN1; SMN2 3286/4885TSHR 4691/4885CASP1 416/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 SMN1; SMN2 2049/4885TSHR 1602/4885CASP1 855/4885
US-20070032433-A1 Novel peptides as NS3-serine protease inhibitors of hepatitis C virus HPN, TMPRSS15, VIP SMN1; SMN2 3286/4885TSHR 4691/4885CASP1 416/4885

“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.