SCHEMBL12376683

SCHEMBL12376683

CC(C)NC(=O)c1ccc(N(C)C)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.69
HPGD P15428 3/20 0.69
HTT P42858 1/20 0.69
RAB9A P51151 1/20 0.69
KMT2A Q03164 2/20 0.62
MAPT P10636 2/20 0.58
LMNA P02545 2/20 0.58
KDM4E B2RXH2 1/20 0.58
TP53 P04637 1/20 0.58
MCL1 Q07820 1/20 0.58
HSD17B10 Q99714 1/20 0.58
HDAC1 Q13547 5/20 0.58
HDAC6 Q9UBN7 4/20 0.58
POLB P06746 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MLYCD O95822 1/20 0.56
HDAC3 O15379 3/20 0.55
HDAC2 Q92769 3/20 0.55
HDAC4 P56524 2/20 0.55
HDAC7 Q8WUI4 2/20 0.55

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
SCHEMBL22381389 0.90 MAPT (0.61) ALDH1A1HPGDHTTRAB9AKMT2A
SCHEMBL18579396 0.87 ALDH1A1 (0.62) ALDH1A1HPGDHTTRAB9AKMT2A
SCHEMBL8590217 0.85 MLYCD (0.70) ALDH1A1HPGDHTTRAB9AKMT2A
SCHEMBL13753433 0.85 ALDH1A1 (0.60) ALDH1A1HPGDHTTRAB9AKMT2A
SCHEMBL10294644 0.82 ALDH1A1 (0.54) ALDH1A1HPGDHTTRAB9AKMT2A
SCHEMBL10294119 0.82 MLYCD (0.54) ALDH1A1HPGDHTTRAB9AKMT2A
SCHEMBL10052242 0.79 MLYCD (0.63) ALDH1A1HPGDRAB9AMAPTLMNA
SCHEMBL18579366 0.79 ALDH1A1 (0.57) ALDH1A1HPGDHTTRAB9AKMT2A
SCHEMBL13753398 0.79 KDM4E (0.58) ALDH1A1HPGDHTTRAB9AKMT2A
SCHEMBL16127374 0.79 ALDH1A1 (0.65) ALDH1A1HPGDHTTRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024028243-A1 PYRAZOLO PESTICIDAL COMPOUNDS BASF SE (DE) 2024-02-08 WO disclosed
US-20240026358-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2024-01-25 US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-07-06 US disclosed
US-20230203087-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-06-29 US disclosed
US-20230203484-A1 DOUBLE STRANDED OLIGONUCLEOTIDE COMPOSITIONS AND METHODS RELATING THERETO WAVE LIFE SCIENCES LTD. (SG) 2023-06-29 US disclosed
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2023-06-22 US disclosed
US-20220402896-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. 2022-12-22 US disclosed
US-11312704-B2 Inhibitors of cysteine proteases and methods of use thereof Pardes Biosciences, Inc. (US) 2022-04-26 US disclosed
US-20220009914-A1 Analogs of Nitrofuran Antibiotics to Combat Resistance NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-01-13 US disclosed
CN-110573950-A Liquid crystal display device and optical element 日本宝来科技有限公司 2019-12-13 CN disclosed
CN-110573947-A liquid crystal display device having a plurality of pixel electrodes 日本宝来科技有限公司 2019-12-13 CN disclosed
CN-110546555-A Liquid crystal display device and method for manufacturing the same POLATECHNO CO LTD 2019-12-06 CN disclosed
US-20140228579-A1 METHOD FOR THE CATALYTIC REDUCTION OF ACID CHLORIDES AND IMIDOYL CHLORIDES Brock Unviersity (CA) 2014-08-14 US disclosed
US-8003662-B2 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. (US) 2011-08-23 US disclosed
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2010-10-07 US disclosed
US-7723330-B2 Heterobicyclic pyrazole compounds and methods of use ARRAY BIOPHARMA INC. (US) 2010-05-25 US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use GENENTECH, INC. 2007-10-11 US disclosed
US-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ARRAY BIOPHARMA, INC. 2007-08-23 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 (10 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-20070197537-A1 Heterobicyclic thiophene compounds and methods of use ERBB2, LCK, SRC ALDH1A1 1635/4885HPGD 1640/4885HTT 2990/4885
US-11312704-B2 Inhibitors of cysteine proteases and methods of use thereof CTSV, CTRL, CTSL ALDH1A1 1798/4885HPGD 1288/4885HTT 2625/4885
US-20100256356-A1 HETEROBICYCLIC PYRAZOLE COMPOUNDS AND METHODS OF USE ROR1, CYP11B1, CYP11B2 ALDH1A1 1929/4885HPGD 842/4885HTT 3220/4885
US-20220402896-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL ALDH1A1 1798/4885HPGD 1288/4885HTT 2625/4885
US-20230203087-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF RNGTT, NSUN2, ALKBH1 ALDH1A1 1901/4885HPGD 4632/4885HTT 1201/4885
US-20140228579-A1 METHOD FOR THE CATALYTIC REDUCTION OF ACID CHLORIDES AND IMIDOYL CHLORIDES CA6, RUVBL2, HACL2 ALDH1A1 4142/4885HPGD 3447/4885HTT 4561/4885
US-20070238726-A1 Heterobicyclic pyrazole compounds and methods of use ROR1, CYP11B1, CYP11B2 ALDH1A1 1929/4885HPGD 842/4885HTT 3220/4885
US-20230192663-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTSV, CTRL, CTSL ALDH1A1 1798/4885HPGD 1288/4885HTT 2625/4885
US-20220009914-A1 Analogs of Nitrofuran Antibiotics to Combat Resistance ATF4, ATF1, FBL ALDH1A1 2865/4885HPGD 572/4885HTT 4185/4885
US-20230212152-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF CTRL, CTSL, CTSV ALDH1A1 1863/4885HPGD 1219/4885HTT 2737/4885

“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.