SCHEMBL21160445

SCHEMBL21160445

CC(C)(C)NCc1ccc(COc2cc(Cl)nc(N)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
NUDT1 P36639 2/20 0.47
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
HSP90AB1 P08238 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
DHFR P00374 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA1 P30542 1/20 0.36
MGMT P16455 1/20 0.35
GRM5 P41594 1/20 0.35

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
SCHEMBL23764904 0.86 NUDT1 (0.52) SMN1; SMN2NUDT1ALDH1A1RAB9AMEN1
SCHEMBL23481321 0.84 CA1 (0.45) SMN1; SMN2NUDT1ALDH1A1RAB9AMEN1
SCHEMBL18573848 0.82 SMN1; SMN2 (0.46) SMN1; SMN2NUDT1ALDH1A1RAB9AMEN1
SCHEMBL24755030 0.82 SMN1; SMN2 (0.69) SMN1; SMN2NUDT1ALDH1A1RAB9AMEN1
SCHEMBL24895914 0.82 SMN1; SMN2 (0.54) SMN1; SMN2NUDT1ALDH1A1RAB9AMEN1
SCHEMBL15483629 0.81 ALDH1A1 (0.44) SMN1; SMN2NUDT1ALDH1A1RAB9AMEN1
SCHEMBL31141585 0.80 SMN1; SMN2 (0.51) SMN1; SMN2NUDT1ALDH1A1RAB9AMEN1
SCHEMBL2749327 0.80 SMN1; SMN2 (0.51) SMN1; SMN2NUDT1ALDH1A1RAB9AMEN1
SCHEMBL18573951 0.80 SMN1; SMN2 (0.47) SMN1; SMN2NUDT1ALDH1A1RAB9AMEN1
SCHEMBL20434695 0.79 ERCC1 (0.44) SMN1; SMN2NUDT1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11209437-B2 Fluorescent probe and preparation method and use thereof FLUORESCENCE DIAGNOSIS (SHANGHAI) BIOTECH COMPANY (CN) 2021-12-28 US disclosed
US-20210382060-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF Shanghai Glory Capital Management Ltd. (CN) 2021-12-09 US disclosed
US-20210085805-A1 FLUOROPHORES FOR SUPER-RESOLUTION IMAGING HOWARD HUGHES MEDICAL INSTITUTE 2021-03-25 US disclosed
US-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-06-20 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-20190187144-A1 FLUORESCENT PROBE AND PREPARATION METHOD AND USE THEREOF HNRNPF, HNRNPUL2, RAB5IF SMN1; SMN2 1496/4885NUDT1 785/4885ALDH1A1 3152/4885
US-20210085805-A1 FLUOROPHORES FOR SUPER-RESOLUTION IMAGING CHAT, FABP7, CD68 SMN1; SMN2 778/4885NUDT1 2010/4885ALDH1A1 845/4885
US-11209437-B2 Fluorescent probe and preparation method and use thereof HNRNPF, HNRNPUL2, RAB5IF SMN1; SMN2 1496/4885NUDT1 785/4885ALDH1A1 3152/4885

“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.