SCHEMBL10101745

SCHEMBL10101745

CC(C)(C)NC(=O)CN1CCCC1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
CACNA1H O95180 1/20 0.55
KMT2A Q03164 3/20 0.49
TDP1 Q9NUW8 2/20 0.46
MEN1 O00255 2/20 0.45
CACNA1I Q9P0X4 1/20 0.45
LMNA P02545 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
NPC1 O15118 2/20 0.44
POLB P06746 1/20 0.44
GAA P10253 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
GFER P55789 1/20 0.43
RAB9A P51151 1/20 0.42

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
SCHEMBL12454178 0.98 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2CACNA1HKMT2ATDP1
SCHEMBL24926282 0.98 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2CACNA1HKMT2ATDP1
SCHEMBL24926262 0.98 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2CACNA1HKMT2ATDP1
SCHEMBL18743780 0.96 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2CACNA1HKMT2ATDP1
SCHEMBL19079021 0.84 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2CACNA1HKMT2AMEN1
SCHEMBL22403854 0.84 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2CACNA1HKMT2AMEN1
SCHEMBL11930700 0.84 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2CACNA1HKMT2AMEN1
SCHEMBL8248140 0.84 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2CACNA1HKMT2AMEN1
SCHEMBL19248414 0.84 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2CACNA1HKMT2AMEN1
SCHEMBL1547058 0.82 SIGMAR1 (0.63) ALDH1A1SMN1; SMN2CACNA1HKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230130909-A1 HPK1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2023-04-27 US disclosed
US-20230031954-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT TETRAPHASE PHARMACEUTICALS, INC. 2023-02-02 US disclosed
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2019-05-23 US disclosed
US-9874575-B2 Analysis of estradiol and analytes with phenolic OH using labeling chemistry and LC-MSMS workflow DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2018-01-23 US disclosed
US-9874575-B2 Analysis of estradiol and analytes with phenolic OH using labeling chemistry and LC-MSMS workflow DH TECHNOLOGIES DEVELOPMENT PTE. LTD. (SG) 2018-01-23 US disclosed
US-20170334841-A1 TETRACYCLINE COMPOUNDS TETRAPHASE PHARMACEUTICALS, INC. 2017-11-23 US disclosed
WO-2017122754-A1 VOLTAGE-DEPENDENT T-TYPE CALCIUM CHANNEL INHIBITOR 日本ケミファ株式会社 2017-07-20 WO disclosed
US-9624166-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-9624166-B2 Tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
US-8828988-B2 8-AZA tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2014-09-09 US disclosed
US-20130296279-A1 SUBSTITUTED TETRACYCLINES CONCERT PHARMACEUTICALS INC. 2013-11-07 US disclosed
US-8367654-B2 8-AZA tetracycline compounds TETRAPHASE PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20120108569-A1 8-AZA Tetracycline Compounds TETRAPHASE PHARMACEUTICALS, INC. 2012-05-03 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 (6 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-20230130909-A1 HPK1 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF WEE2, WEE1, HK1 ALDH1A1 3279/4885SMN1; SMN2 4806/4885CACNA1H 4253/4885
US-20130296279-A1 SUBSTITUTED TETRACYCLINES TET1, TET3, SLC10A2 ALDH1A1 1432/4885SMN1; SMN2 480/4885CACNA1H 512/4885
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF MALT1, MYLK2, FKBP1B ALDH1A1 2805/4885SMN1; SMN2 781/4885CACNA1H 274/4885
US-20230031954-A1 TETRACYCLINE COMPOUNDS AND METHODS OF TREATMENT MCL1, ABL1, MALT1 ALDH1A1 3787/4885SMN1; SMN2 2381/4885CACNA1H 2070/4885
US-20170334841-A1 TETRACYCLINE COMPOUNDS TUBB, TUBA1A, TUBA1C ALDH1A1 2768/4885SMN1; SMN2 3267/4885CACNA1H 638/4885
US-20120108569-A1 8-AZA Tetracycline Compounds TET1, TET3, HDAC8 ALDH1A1 1323/4885SMN1; SMN2 3122/4885CACNA1H 1049/4885

“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.