SCHEMBL4151537

SCHEMBL4151537

N#Cc1cn(CC(=O)O)cc1-c1cc(Cl)cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
CNR1 P21554 3/20 0.46
TRPV4 Q9HBA0 1/20 0.43
TSHR P16473 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL3917626 0.92 LSS (0.46) KDM4EALDH1A1CNR1TSHRPTGDR2
SCHEMBL4163738 0.89 MEN1 (0.46) ALDH1A1CNR1TSHRLMNAGAA
SCHEMBL4144085 0.88 PTGDR2 (0.42) KDM4EALDH1A1CNR1TSHRPTGDR2
SCHEMBL3921517 0.88 CNR1 (0.41) KDM4EALDH1A1CNR1TSHRSMN1; SMN2
SCHEMBL3607836 0.87 CNR1 (0.41) ALDH1A1CNR1TSHRPTGDR2LMNA
SCHEMBL3600846 0.87 GAA (0.43) ALDH1A1CNR1TSHRLMNAGAA
SCHEMBL3594052 0.86 CNR1 (0.40) ALDH1A1CNR1TSHRPTGDR2LMNA
SCHEMBL3913275 0.85 PTPN11 (0.45) ALDH1A1CNR1TSHRLMNAPOLB
SCHEMBL3604717 0.84 PTGDR2 (0.40) CNR1PTGDR2LMNAGAA
SCHEMBL3921481 0.84 KDM4E (0.49) KDM4EALDH1A1CNR1LMNAHSD17B10

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-20090209552-A1 Organic Compounds NOVARTIS AG 2009-08-20 US claimed
US-20090209552-A1 Organic Compounds NOVARTIS AG 2009-08-20 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-20090209552-A1 Organic Compounds SLCO1B3, SLCO1B1, SLC10A6 KDM4E 1399/4885ALDH1A1 439/4885CNR1 657/4885

“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.