SCHEMBL9972171

SCHEMBL9972171

CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.74
SMN1; SMN2 Q16637 5/20 0.63
PDE7A Q13946 4/20 0.61
PDE7B Q9NP56 2/20 0.61
PDE4A P27815 1/20 0.61
PDE4B Q07343 1/20 0.61
PDE4C Q08493 1/20 0.61
PDE4D Q08499 1/20 0.61
POLB P06746 2/20 0.60
ALDH1A1 P00352 8/20 0.60
NPSR1 Q6W5P4 4/20 0.59
CYP3A4 P08684 1/20 0.58
MAPT P10636 1/20 0.58
CYP2C9 P11712 1/20 0.58
RAB9A P51151 1/20 0.56
TSHR P16473 2/20 0.54
USP2 O75604 1/20 0.54
MAPK1 P28482 1/20 0.54
RECQL P46063 1/20 0.54

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
SCHEMBL19487245 0.91 LMNA (0.77) LMNASMN1; SMN2PDE7APDE7BPDE4A
SCHEMBL1101909 0.87 LMNA (0.72) LMNASMN1; SMN2PDE7APDE7BPDE4A
SCHEMBL1101917 0.87 LMNA (0.72) LMNASMN1; SMN2PDE7APDE7BPDE4A
SCHEMBL5030398 0.85 MAPT (0.67) LMNASMN1; SMN2PDE7APDE7BPDE4A
SCHEMBL2631381 0.82 MAPK1 (0.74) LMNASMN1; SMN2POLBALDH1A1NPSR1
SCHEMBL5028783 0.79 SMN1; SMN2 (0.66) LMNASMN1; SMN2POLBALDH1A1NPSR1
SCHEMBL28367595 0.79 SMN1; SMN2 (0.66) LMNASMN1; SMN2POLBALDH1A1NPSR1
SCHEMBL29175098 0.79 SMN1; SMN2 (0.66) LMNASMN1; SMN2POLBALDH1A1NPSR1
SCHEMBL28324629 0.79 ALDH1A1 (0.84) LMNASMN1; SMN2POLBALDH1A1NPSR1
SCHEMBL9671260 0.79 PDE7A (0.84) SMN1; SMN2PDE7AALDH1A1NPSR1CYP3A4

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-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-8309543-B2 Compositions useful as inhibitors of voltage-gated sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-13 US disclosed
US-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-09-20 US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 US disclosed
US-8202861-B2 Drugs for various disorders VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-19 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-20120238578-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS SCNN1G, KCNN3, KCNN2 LMNA 1374/4885SMN1; SMN2 524/4885PDE7A 392/4885

“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.