SCHEMBL4096438

SCHEMBL4096438

Nc1cc(NC(=O)[C@@H]2CCCN2C(=O)O)ccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.67
TSHR P16473 1/20 0.52
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
ALDH1A1 P00352 2/20 0.48
NPSR1 Q6W5P4 3/20 0.47
RHOC P08134 1/20 0.47
RHOA P61586 1/20 0.47
HCRTR1 O43613 1/20 0.45
HCRTR2 O43614 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
EP300 Q09472 1/20 0.44
CREBBP Q92793 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL4090362 0.82 HTT (0.60) HTTTSHRCYP2C9CYP2C19CYP1A2
SCHEMBL4090359 0.82 HTT (0.60) HTTTSHRCYP2C9CYP2C19CYP1A2
SCHEMBL2442864 0.82 HTT (0.54) HTTCYP2C9CYP2C19ALDH1A1NPSR1
SCHEMBL3106237 0.82 RHOC (0.62) HTTTSHRCYP2C9CYP2C19ALDH1A1
SCHEMBL3106245 0.82 RHOC (0.62) HTTTSHRCYP2C9CYP2C19ALDH1A1
SCHEMBL17474784 0.78 ALDH1A1 (0.54) HTTCYP2C9CYP2C19CYP1A2CYP3A4
SCHEMBL4799610 0.77 ALDH1A1 (0.64) HTTCYP2C9CYP2C19ALDH1A1NPSR1
SCHEMBL4799596 0.77 ALDH1A1 (0.64) HTTCYP2C9CYP2C19ALDH1A1NPSR1
SCHEMBL79144 0.77 MAPT (0.57) HTTALDH1A1NPSR1MEN1KMT2A
SCHEMBL79145 0.77 MAPT (0.57) HTTALDH1A1NPSR1MEN1KMT2A

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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 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-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 HTT 70/4885TSHR 4599/4885CYP2C9 4880/4885

“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.