SCHEMBL12468441

SCHEMBL12468441

Cc1nc(-c2cccc(C(=O)N(C)C)c2)cs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.56
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 3/20 0.51
KDM4E B2RXH2 3/20 0.51
POLB P06746 3/20 0.51
RAB9A P51151 3/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 3/20 0.51
GFER P55789 1/20 0.51
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
PRMT6 Q96LA8 1/20 0.50
ESR2 Q92731 1/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
KDM4A O75164 1/20 0.48

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
SCHEMBL15849621 0.89 RECQL (0.54) RECQLTSHRSMN1; SMN2HTTKDM4E
SCHEMBL113675 0.87 RECQL (0.51) RECQLTSHRSMN1; SMN2HTTKDM4E
SCHEMBL12468444 0.86 SMN1; SMN2 (0.56) SMN1; SMN2RAB9ANPC1GRM1
SCHEMBL12472286 0.84 GRM1 (0.55) TSHRSMN1; SMN2RAB9AMAPTNFKB1
SCHEMBL601034 0.84 HTT (0.68) RECQLTSHRSMN1; SMN2HTTKDM4E
SCHEMBL1020685 0.82 RECQL (0.59) RECQLTSHRSMN1; SMN2HTTKDM4E
SCHEMBL3088586 0.82 RECQL (0.63) RECQLTSHRSMN1; SMN2HTTKDM4E
SCHEMBL13389562 0.80 RECQL (0.56) RECQLTSHRSMN1; SMN2HTTKDM4E
SCHEMBL17476093 0.80 PFKFB3 (0.58) RECQLTSHRSMN1; SMN2HTTKDM4E
SCHEMBL20647099 0.80 RECQL (0.56) RECQLTSHRSMN1; SMN2HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110182854-A1 HCV PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2011-07-28 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 (1 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-20110182854-A1 HCV PROTEASE INHIBITORS SERPINB1, CTSC, HPN RECQL 2103/4885TSHR 4544/4885SMN1; SMN2 4263/4885

“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.