SCHEMBL21393055

SCHEMBL21393055

C=CC(=O)NCc1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.64
MAPT P10636 3/20 0.64
CYP1A2 P05177 2/20 0.64
LMNA P02545 2/20 0.64
CYP2C19 P33261 1/20 0.64
HTT P42858 1/20 0.64
STAT3 P40763 1/20 0.62
KCNQ3 O43525 1/20 0.58
KCNQ2 O43526 1/20 0.58
RAB9A P51151 5/20 0.53
NPC1 O15118 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.49
NAMPT P43490 1/20 0.47
DGAT1 O75907 3/20 0.47
HDAC1 Q13547 1/20 0.47
JAK2 O60674 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
SCHEMBL1124113 0.85 PARP1 (0.54) MAPTCYP1A2CYP2C19NAMPTJAK2
SCHEMBL2169030 0.79 MAPT (0.78) SMN1; SMN2MAPTCYP1A2LMNACYP2C19
SCHEMBL1124148 0.76 TGM2 (0.55) SMN1; SMN2CYP2C19RAB9ANPC1L3MBTL1
SCHEMBL12078211 0.75 ALDH1A1 (0.62) SMN1; SMN2MAPTCYP1A2LMNACYP2C19
SCHEMBL4737529 0.74 KCNQ3 (0.73) SMN1; SMN2MAPTCYP1A2LMNACYP2C19
SCHEMBL213940 0.74 HDAC1 (0.73) SMN1; SMN2MAPTCYP1A2LMNACYP2C19
SCHEMBL8769978 0.74 MAPT (0.70) SMN1; SMN2MAPTCYP1A2LMNACYP2C19
SCHEMBL22495388 0.73 MAPT (0.69) SMN1; SMN2MAPTCYP1A2LMNACYP2C19
SCHEMBL31504224 0.73 MAPT (0.69) SMN1; SMN2MAPTCYP1A2LMNACYP2C19
SCHEMBL4251030 0.72 MAPT (0.86) SMN1; SMN2MAPTCYP1A2LMNACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11666661-B2 Methods and compounds for targeted autophagy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-06 US disclosed
US-11666661-B2 Methods and compounds for targeted autophagy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-06 US disclosed
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-02 US disclosed
WO-2019183600-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-26 WO disclosed
US-20190290778-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY FRONTIER MEDICINES CORPORATION 2019-09-26 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 (3 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-20190290778-A1 METHODS AND COMPOUNDS FOR TARGETED AUTOPHAGY ATG7, BECN1, SQSTM1 SMN1; SMN2 3721/4885MAPT 442/4885CYP1A2 4418/4885
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES RNF114, RNF4, RNF168 SMN1; SMN2 1834/4885MAPT 961/4885CYP1A2 3732/4885
US-11666661-B2 Methods and compounds for targeted autophagy ATG7, BECN1, SQSTM1 SMN1; SMN2 3721/4885MAPT 442/4885CYP1A2 4418/4885

“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.