SCHEMBL7088488

SCHEMBL7088488

NC(=O)c1nc(-c2cccc(N)c2)cs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.59
RECQL P46063 1/20 0.59
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
SCN9A Q15858 1/20 0.56
HDAC3 O15379 5/20 0.50
HDAC1 Q13547 5/20 0.50
HDAC2 Q92769 5/20 0.50
HDAC10 Q969S8 5/20 0.50
HDAC8 Q9BY41 3/20 0.50
HDAC6 Q9UBN7 3/20 0.50
HDAC4 P56524 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
MAP3K14 Q99558 1/20 0.47
FBP1 P09467 1/20 0.47
NCOR2 Q9Y618 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
SCHEMBL7442976 0.85 SCN9A (0.62) CYP3A4CYP2D6CYP2C9SCN9AMAP3K14
SCHEMBL6664214 0.84 ATP4A (0.60) CYP3A4CYP2D6CYP2C9SCN9AMAP3K14
SCHEMBL6660829 0.84 ATP4A (0.60) TSHRRECQLCYP3A4CYP2D6CYP2C9
SCHEMBL7436637 0.84 KDM4E (0.63) CYP3A4CYP2D6CYP2C9SCN9AHDAC1
SCHEMBL7436415 0.84 MAPT (0.63) CYP3A4CYP2D6CYP2C9SCN9AHDAC3
SCHEMBL22352575 0.83 TSHR (0.57) TSHRRECQLCYP3A4CYP2D6CYP2C9
SCHEMBL168593 0.82 ALDH1A1 (0.56) RECQLCYP3A4CYP2D6CYP2C9SCN9A
Hydrochloric Acid SCHEMBL30882415 0.81 MAPT (0.56) RECQLCYP3A4CYP2D6CYP2C9SCN9A
SCHEMBL7434052 0.80 CYP3A4 (0.52) TSHRRECQLCYP3A4CYP2D6CYP2C9
SCHEMBL7440522 0.80 CYP3A4 (0.61) CYP3A4CYP2D6CYP2C9SCN9AMAPT

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-20030144308-A1 Fructose 1,6-bisphosphatase inhibitors BAUER PAUL H (US) 2003-07-31 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-20030144308-A1 Fructose 1,6-bisphosphatase inhibitors FBP1, HK1, G6PC1 TSHR 4244/4885RECQL 642/4885CYP3A4 546/4885

“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.