SCHEMBL5941007

SCHEMBL5941007

CC(C)c1ccc(Nc2snc(O)c2C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
RECQL P46063 1/20 0.49
ALDH1A1 P00352 7/20 0.45
RAB9A P51151 6/20 0.45
POLB P06746 3/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 5/20 0.43
HPGD P15428 3/20 0.43
NFKB1 P19838 2/20 0.38
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
MAPT P10636 3/20 0.35
USP2 O75604 1/20 0.35
MAP2K1 Q02750 1/20 0.35
GAA P10253 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34

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
SCHEMBL1228956 0.84 MAPT (0.50) HTTRECQLALDH1A1RAB9APOLB
SCHEMBL21917164 0.84 HTT (0.56) HTTRECQLALDH1A1RAB9APOLB
SCHEMBL2440881 0.84 HTT (0.49) HTTRECQLALDH1A1RAB9APOLB
SCHEMBL5941039 0.81 HTT (0.49) HTTRECQLALDH1A1RAB9APOLB
SCHEMBL5941099 0.81 HTT (0.64) HTTRECQLALDH1A1RAB9APOLB
SCHEMBL2439673 0.81 HTT (0.49) HTTRECQLALDH1A1RAB9APOLB
SCHEMBL3527060 0.81 HTT (0.68) HTTRECQLALDH1A1RAB9APOLB
SCHEMBL2436285 0.81 HTT (0.49) HTTRECQLALDH1A1RAB9APOLB
SCHEMBL5941017 0.80 HTT (0.48) HTTRECQLALDH1A1RAB9APOLB
SCHEMBL13546620 0.79 HTT (0.50) HTTRECQLALDH1A1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220072019-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NAD+ OR A NAD+ PRECURSOR DISARM THERAPEUTICS, INC. 2022-03-10 US disclosed
US-20220008405-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEURO-PROTECTIVE AGENTS DISARM THERAPEUTICS, INC. 2022-01-13 US disclosed
WO-2020132045-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEUROPROTECTIVE AGENTS DISARM THERAPEUTICS, INC. (US) 2020-06-25 WO disclosed
WO-2020081923-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NAD+ OR A NAD+ PRECURSOR DISARM THERAPEUTICS, INC. (US) 2020-04-23 WO disclosed
US-6989451-B2 Substituted isothiazole compounds are useful for treating the diseases associated with abnormality in protein kinases(especially MAP kinases) VALEANT RESEARCH & DEVELOPMENT (US) 2006-01-24 US disclosed
US-20040039037-A1 Heterocyclic compounds and uses thereof VALEANT PHARMA POLAND SPOLKA Z ORGANICZONA ODPOWIEDZIALNOSCIA (PL) 2004-02-26 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-20220072019-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NAD+ OR A NAD+ PRECURSOR SARM1, NNMT, NQO1 HTT 155/4885RECQL 1696/4885ALDH1A1 1724/4885
US-20040039037-A1 Heterocyclic compounds and uses thereof MAP3K1, MAP3K20, MAP4K2 HTT 2684/4885RECQL 3054/4885ALDH1A1 2646/4885
US-20220008405-A1 INHIBITORS OF SARM1 IN COMBINATION WITH NEURO-PROTECTIVE AGENTS SARM1, SMN1; SMN2, SARNP HTT 53/4885RECQL 2458/4885ALDH1A1 3928/4885

“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.