SCHEMBL12459809

SCHEMBL12459809

Cc1ccc2c(c1)C1(CCN(C/C=C/c3ccccc3F)CC1)CN2C(=O)c1ccnc(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PDE4B Q07343 7/20 0.34
S1PR5 Q9H228 1/20 0.34
GFER P55789 1/20 0.32
NOTUM Q6P988 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
SCHEMBL12459584 0.92 HDAC1 (0.36) HDAC1HDAC6SMN1; SMN2GFERNOTUM
SCHEMBL12459569 0.92 NOTUM (0.39) HDAC1HDAC6SMN1; SMN2PDE4BS1PR5
SCHEMBL12459591 0.92 PDE4B (0.32) HDAC1HDAC6PDE4BGFERNOTUM
SCHEMBL12459571 0.92 NOTUM (0.37) HDAC1HDAC6GFERNOTUM
SCHEMBL12459611 0.88 SMN1; SMN2 (0.37) HDAC1HDAC6SMN1; SMN2GFER
SCHEMBL12459808 0.87 SMN1; SMN2 (0.39) HDAC1HDAC6SMN1; SMN2GFERNOTUM
SCHEMBL12459614 0.87 NOTUM (0.38) HDAC1HDAC6SMN1; SMN2GFERNOTUM
SCHEMBL12459610 0.86 SMN1; SMN2 (0.38) HDAC1HDAC6SMN1; SMN2GFERNOTUM
SCHEMBL13968984 0.86 NOTUM (0.40) HDAC1HDAC6SMN1; SMN2PDE4BNOTUM
SCHEMBL12459581 0.86 HDAC1 (0.34) HDAC1HDAC6SMN1; SMN2PDE4BNOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150057302-A1 SPIROINDOLINE COMPOUNDS FOR USE AS ANTHELMINTHICS INTERVET INC. 2015-02-26 US disclosed
US-20150057302-A1 SPIROINDOLINE COMPOUNDS FOR USE AS ANTHELMINTHICS INTERVET INC. 2015-02-26 US disclosed
EP-2531506-B1 Spiroindoline compounds for use as anthelminthics INTERVET INT BV (NL) 2014-05-14 EP disclosed
US-20120295931-A1 SPIROINDOLINE COMPOUNDS FOR USE AS ANTHELMINTHICS INTERVET INC. 2012-11-22 US disclosed
US-20120295931-A1 SPIROINDOLINE COMPOUNDS FOR USE AS ANTHELMINTHICS INTERVET INC. 2012-11-22 US disclosed
WO-2011095581-A1 S PIROINDOLINE COMPOUNDS FOR USE AS ANTHELMINTHI CS INTERVET INTERNATIONAL B.V. (NL) 2011-08-11 WO 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 (2 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-20150057302-A1 SPIROINDOLINE COMPOUNDS FOR USE AS ANTHELMINTHICS PKD2, PKD1, PIR HDAC1 607/4885HDAC6 68/4885SMN1; SMN2 3833/4885
US-20120295931-A1 SPIROINDOLINE COMPOUNDS FOR USE AS ANTHELMINTHICS PKD2, PKD1, PIR HDAC1 607/4885HDAC6 68/4885SMN1; SMN2 3833/4885

“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.