SCHEMBL4579197

SCHEMBL4579197

CC(=O)Nc1ccc(C(C)N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KMT2A Q03164 5/20 0.55
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 3/20 0.55
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA9 Q16790 2/20 0.55
MAPT P10636 2/20 0.55
TDP1 Q9NUW8 1/20 0.55
BRD4 O60885 1/20 0.55
NR1I2 O75469 1/20 0.55
MB P02144 1/20 0.55
CYP1A1 P04798 1/20 0.55
CA3 P07451 1/20 0.55
CYP3A4 P08684 1/20 0.55
RARG P13631 1/20 0.55
TSHR P16473 1/20 0.55

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
SCHEMBL8648800 1.00 SMN1; SMN2 (0.57) SMN1; SMN2HTTL3MBTL1KMT2AALDH1A1
SCHEMBL8643836 1.00 SMN1; SMN2 (0.57) SMN1; SMN2HTTL3MBTL1KMT2AALDH1A1
SCHEMBL104524 0.83 SMN1; SMN2 (0.61) SMN1; SMN2HTTL3MBTL1KMT2AALDH1A1
SCHEMBL14463078 0.82 SMN1; SMN2 (0.59) SMN1; SMN2HTTL3MBTL1KMT2AALDH1A1
SCHEMBL27254651 0.81 SMN1; SMN2 (0.64) SMN1; SMN2HTTL3MBTL1KMT2AALDH1A1
SCHEMBL11526208 0.81 SMN1; SMN2 (0.53) SMN1; SMN2HTTL3MBTL1KMT2AALDH1A1
SCHEMBL11355701 0.81 MAPT (0.56) SMN1; SMN2HTTL3MBTL1KMT2AALDH1A1
SCHEMBL18509213 0.80 SMN1; SMN2 (0.57) SMN1; SMN2HTTL3MBTL1KMT2AALDH1A1
SCHEMBL8811830 0.80 SMN1; SMN2 (0.57) SMN1; SMN2HTTL3MBTL1KMT2AALDH1A1
SCHEMBL19806131 0.80 SMN1; SMN2 (0.57) SMN1; SMN2HTTL3MBTL1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170291885-A1 METHOD FOR PREPARING ENAMIDE COMPOUND AND RUTHENIUM COMPLEX CATALYST USED THEREIN POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2017-10-12 US disclosed
US-8008487-B2 Substituted thieno[2,3-D]pyrimidines as fungicides DOW AGROSCIENCES LLC (US) 2011-08-30 US disclosed
US-8008487-B2 Substituted thieno[2,3-D]pyrimidines as fungicides DOW AGROSCIENCES LLC (US) 2011-08-30 US disclosed
US-20080096859-A1 Compositions and Methods for Treating Ophthalmic Diseases MERCK SHARP & DOHME CORP. 2008-04-24 US disclosed
CN-101035537-A Compositions and methods for treating ocular diseases MERCK & CO INC (US) 2007-09-12 CN disclosed
US-6127388-A Azetidine, pyrrolidine and piperidine derivatives as 5-HT1D receptor agonists MERCK SHARP & DOHME LTD. (GB) 2000-10-03 US disclosed
US-6025374-A Azetidine, pyrrolidine and piperidine derivatives as 5HT1 receptor agonists MERCK SHARP & DOHME, LTD. (GB) 2000-02-15 US disclosed
US-5998440-A Azetidine, pyrrolidine and piperidine derivatives MERCK SHARPE & DOHME LTD. (GB) 1999-12-07 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 (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-20080096859-A1 Compositions and Methods for Treating Ophthalmic Diseases CXCL12, CXCR4, CX3CR1 SMN1; SMN2 3977/4885HTT 3230/4885L3MBTL1 4795/4885
US-20170291885-A1 METHOD FOR PREPARING ENAMIDE COMPOUND AND RUTHENIUM COMPLEX CATALYST USED THEREIN ENY2, ENO1, IDH1 SMN1; SMN2 3027/4885HTT 664/4885L3MBTL1 4012/4885

“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.