SCHEMBL5866871

SCHEMBL5866871

CC(C)CC(=O)NCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
SMN1; SMN2 Q16637 1/20 0.71
HPGD P15428 5/20 0.70
KMT2A Q03164 4/20 0.67
MEN1 O00255 3/20 0.67
MAPT P10636 1/20 0.62
GAA P10253 1/20 0.59
L3MBTL1 Q9Y468 3/20 0.58
HTT P42858 1/20 0.58
PLA2G1B P04054 1/20 0.57
ATG4B Q9Y4P1 1/20 0.57
MCL1 Q07820 1/20 0.54
EPHX2 P34913 1/20 0.54

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
SCHEMBL5907663 0.87 MEN1 (0.65) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL21233937 0.87 MEN1 (0.65) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL14183971 0.86 KMT2A (0.63) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL20734724 0.86 KMT2A (0.63) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL29828465 0.86 KMT2A (0.63) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL15514213 0.86 KMT2A (0.63) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL6403394 0.86 KMT2A (0.63) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL23224250 0.84 HPGD (0.69) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL18774007 0.84 KMT2A (0.61) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1
SCHEMBL12019303 0.84 HPGD (0.73) ALDH1A1SMN1; SMN2HPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115784995-A Isotopic psychoactive substance labeled compound, preparation method and application thereof 公安部第三研究所 2023-03-14 CN claimed
CN-115784994-A Isotopic psychoactive substance labeled compound, preparation method and application thereof 公安部第三研究所 2023-03-14 CN claimed
CN-114478389-A Isotopic psychoactive substance labeled compound, preparation method, application and application thereof 公安部第三研究所 2022-05-13 CN claimed
US-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2023-11-09 US disclosed
CN-115784995-A Isotopic psychoactive substance labeled compound, preparation method and application thereof 公安部第三研究所 2023-03-14 CN disclosed
CN-115784994-A Isotopic psychoactive substance labeled compound, preparation method and application thereof 公安部第三研究所 2023-03-14 CN disclosed
CN-114478389-A Isotopic psychoactive substance labeled compound, preparation method, application and application thereof 公安部第三研究所 2022-05-13 CN disclosed
EP-3319963-B1 SUBSTITUTED 4-AZAINDOLES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-01-08 EP disclosed
US-9878980-B2 Heterodimers of glutamic acid MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2018-01-30 US disclosed
US-20170044098-A1 Heterodimers of Glutamic Acid MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2017-02-16 US disclosed
US-8981049-B2 Aziridine mediated native chemical ligation WASHINGTON STATE UNIVERSITY (US) 2015-03-17 US disclosed
US-6350746-B1 FACTOR XA ENZYME INHIBITORS BERLEX LABORATORIES, INC. 2002-02-26 US disclosed
US-6306884-B1 ANTICOAGULANTS AND BLOOD COAGULATION FACTOR BERLEX LABORATORIES, INC. 2001-10-23 US disclosed
US-6034103-A THROMBOSIS THERAPY BERLEX LABORATORIES, INC. (US) 2000-03-07 US disclosed
US-6004981-A HUMAN FACTOR XA INHIBITORS BERLEX LABORATORIES, INC. 1999-12-21 US disclosed
US-5889005-A Benzamidine derivatives and their use for treating thrombotic diseases BERLEX LABORATORIES, INC. (US) 1999-03-30 US disclosed
US-5883100-A Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. (US) 1999-03-16 US disclosed
US-5691364-A Benzamidine derivatives and their use as anti-coagulants BERLEX LABORATORIES, INC. (US) 1997-11-25 US disclosed
US-5296604-A Proline derivatives and compositions for their use as inhibitors of HIV protease MILES INC. (US) 1994-03-22 US disclosed
US-4098705-A ADDITIVE FOR LUBRICANTS ASAHI DENKA KOGYO K.K. (JP) 1978-07-04 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-20230357158-A1 QUINOLINE cGAS ANTAGONIST COMPOUNDS CGAS, GLS2, GLS ALDH1A1 4236/4885SMN1; SMN2 2633/4885HPGD 905/4885
US-20170044098-A1 Heterodimers of Glutamic Acid DDO, GLUL, ASNS ALDH1A1 2348/4885SMN1; SMN2 3075/4885HPGD 899/4885

“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.