SCHEMBL10170657

SCHEMBL10170657

C=C(C)c1ccc(C#N)c(Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KHK P50053 1/20 0.36
RPS6KA5 O75582 1/20 0.35
RPS6KA4 O75676 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MBOAT4 Q96T53 1/20 0.34
PKM P14618 1/20 0.33
AR P10275 5/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TRPV4 Q9HBA0 1/20 0.32
KDM5A P29375 1/20 0.32

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
SCHEMBL10170664 0.81 AR (0.39) ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL8514221 0.78 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL30963650 0.78 KDM4E (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL1142900 0.78 KDM4E (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL10170655 0.77 KDM4E (0.49) ALDH1A1SMN1; SMN2L3MBTL1KDM5A
Hydrochloric Acid SCHEMBL8514225 0.76 KDM4E (0.41) ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL112846 0.76 GAA (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL30242159 0.72 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL333768 0.72 ALDH1A1 (0.49) ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL24983917 0.71 ALDH1A1 (0.38) ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168668-B2 Compounds ASTRAZENECA AB (SE) 2012-05-01 US disclosed
US-20100286202-A1 New Compounds ASTRAZENECA AB (SE) 2010-11-11 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-20100286202-A1 New Compounds REN, PCSK9, FURIN ALDH1A1 1484/4885CYP1A2 533/4885CYP2C9 248/4885

“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.