SCHEMBL19981392

SCHEMBL19981392

NC(=O)c1nc(N)sc1-c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.68
KDM4E B2RXH2 5/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
HPGD P15428 1/20 0.68
HSD17B10 Q99714 1/20 0.68
CYP1A2 P05177 4/20 0.56
MAPT P10636 3/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C19 P33261 2/20 0.56
GAA P10253 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
MAP2K3 P46734 1/20 0.50
PKM P14618 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
IKBKB O14920 3/20 0.49
MEN1 O00255 2/20 0.46
MAPK1 P28482 2/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL496182 0.88 ALDH1A1 (0.69) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL10666685 0.85 MAP2K3 (0.51) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL27981538 0.83 ALDH1A1 (0.64) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL27866747 0.83 KDM4E (0.48) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL496802 0.81 ALDH1A1 (1.00) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL28769314 0.80 ALDH1A1 (0.63) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL3317624 0.77 ALDH1A1 (0.72) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL6628198 0.76 CDC7 (0.62) CDC7
SCHEMBL9587054 0.76 ALDH1A1 (0.59) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
Hydrochloric Acid SCHEMBL9585578 0.75 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11597708-B2 Inhibitors of heat shock factors and uses thereof HSF PHARMACEUTICALS SA (CH) 2023-03-07 US disclosed
US-20210221778-A1 Inhibitors of heat shock factors and uses thereof HSF PHARMACEUTICALS SA (CH) 2021-07-22 US disclosed
WO-2018050656-A2 INHIBITORS OF HEAT SHOCK FACTORS AND USES THEREOF HSF PHARMACEUTICALS (CH) 2018-03-22 WO disclosed
CN-102227218-B Tnik inhibitor and use thereof CARNA BIOSCIENCES INC 2014-04-02 CN disclosed
CN-102227218-A Tnik inhibitor and use thereof TESSHI YAMADA 2011-10-26 CN 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-11597708-B2 Inhibitors of heat shock factors and uses thereof HSF1, HSP90AB2P, HSP90AB1 ALDH1A1 2641/4885KDM4E 2977/4885SMN1; SMN2 4284/4885
US-20210221778-A1 Inhibitors of heat shock factors and uses thereof HSF1, HSP90AB2P, HSP90AB1 ALDH1A1 2641/4885KDM4E 2977/4885SMN1; SMN2 4284/4885

“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.