SCHEMBL21143451

SCHEMBL21143451

CC1CCCC(C)N1CC(=O)Sc1nnc(-c2ccncc2)n1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 4/20 0.51
HDAC3 O15379 3/20 0.48
PTK2 Q05397 3/20 0.48
HDAC2 Q92769 3/20 0.48
HDAC8 Q9BY41 3/20 0.48
HDAC6 Q9UBN7 3/20 0.48
HDAC1 Q13547 2/20 0.48
GAA P10253 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
CDC25A P30304 1/20 0.44
CDC25B P30305 1/20 0.44

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
SCHEMBL19995460 0.78 KMT2A (0.70) SMN1; SMN2MEN1KMT2AALDH1A1GAA
SCHEMBL20011235 0.70 ALDH1A1 (0.60) SMN1; SMN2MEN1KMT2AALDH1A1HDAC3
SCHEMBL6405090 0.67 ALDH1A1 (0.72) SMN1; SMN2MEN1KMT2AALDH1A1HDAC3
SCHEMBL19995264 0.66 TSHR (0.62) SMN1; SMN2MEN1KMT2AALDH1A1GAA
SCHEMBL1544895 0.66 ALDH1A1 (0.67) SMN1; SMN2MEN1KMT2AALDH1A1HDAC3
SCHEMBL2496934 0.65 NPC1 (0.73) SMN1; SMN2MEN1KMT2AALDH1A1HDAC3
SCHEMBL6404890 0.64 ALDH1A1 (1.00) KMT2AALDH1A1GAACYP3A4CYP2C19
SCHEMBL17712729 0.63 HDAC3 (0.69) SMN1; SMN2MEN1KMT2AALDH1A1HDAC3
SCHEMBL4147233 0.61 CDC25A (1.00) MEN1KMT2AALDH1A1GAACYP3A4
SCHEMBL6409127 0.60 SMN1; SMN2 (0.80) SMN1; SMN2MEN1KMT2AALDH1A1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11123339-B2 WASp-protecting small molecules, compositions, methods and uses thereof in the treatment of innate and acquired immune-related disorders or conditions BAR ILAN UNIVERSITY (IL) 2021-09-21 US disclosed
US-20190216794-A1 WASP-PROTECTING SMALL MOLECULES, COMPOSITIONS, METHODS AND USES THEREOF IN THE TREATMENT OF INNATE AND ACQUIRED IMMUNE-RELATED DISORDERS OR CONDITIONS BAR ILAN UNIVERSITY (IL) 2019-07-18 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-11123339-B2 WASp-protecting small molecules, compositions, methods and uses thereof in the treatment of innate and acquired immune-related disorders or conditions XIAP, BRWD1, ZAP70 SMN1; SMN2 1242/4885MEN1 2865/4885KMT2A 2658/4885
US-20190216794-A1 WASP-PROTECTING SMALL MOLECULES, COMPOSITIONS, METHODS AND USES THEREOF IN THE TREATMENT OF INNATE AND ACQUIRED IMMUNE-RELATED DISORDERS OR CONDITIONS XIAP, BRWD1, ZAP70 SMN1; SMN2 1242/4885MEN1 2865/4885KMT2A 2658/4885

“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.