SCHEMBL19323949

SCHEMBL19323949

CC(C)(C)C(=O)NCc1ccc(Cl)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HDAC6 Q9UBN7 1/20 0.51
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA14 Q9ULX7 1/20 0.50
FAAH O00519 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.47
NAMPT P43490 2/20 0.47
CYP2C9 P11712 1/20 0.47
PTGES O14684 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HDAC1 Q13547 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL8194183 0.84 ALDH1A1 (0.49) ALDH1A1FAAHL3MBTL1KDM4EGAA
SCHEMBL25587539 0.83 HDAC6 (0.53) ALDH1A1HDAC6CA1CA2CA7
SCHEMBL2632301 0.82 ALDH1A1 (0.57) ALDH1A1HDAC6FAAHL3MBTL1KDM4E
SCHEMBL29811285 0.82 ALDH1A1 (0.57) ALDH1A1HDAC6FAAHL3MBTL1KDM4E
SCHEMBL506742 0.82 L3MBTL1 (0.53) ALDH1A1FAAHL3MBTL1KDM4EGAA
SCHEMBL19318483 0.81 HDAC6 (0.51) HDAC6CA1CA2CA7CA14
SCHEMBL3704245 0.80 L3MBTL1 (0.56) ALDH1A1FAAHL3MBTL1KDM4EGAA
SCHEMBL5012151 0.79 FAAH (0.61) ALDH1A1FAAHL3MBTL1KDM4EGAA
SCHEMBL19318509 0.79 HDAC6 (0.49) HDAC6CA1CA2CA7CA14
SCHEMBL12862995 0.79 HDAC6 (0.49) HDAC6CA1CA2CA7CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 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 (1 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-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC ALDH1A1 1148/4885HDAC6 193/4885CA1 4836/4885

“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.