SCHEMBL12459591

SCHEMBL12459591

Cc1ccc2c(c1)C1(CCN(C/C=C/c3ccc(F)cc3F)CC1)CN2C(=O)c1ccnc(Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
GFER P55789 1/20 0.32
NOTUM Q6P988 1/20 0.32
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
AKT1 P31749 1/20 0.31
GPR183 P32249 1/20 0.31
KCNH2 Q12809 1/20 0.31
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL12459581 0.95 HDAC1 (0.34) PDE4BHDAC1HDAC6NOTUMALDH1A1
SCHEMBL12459571 0.94 NOTUM (0.37) HDAC1HDAC6GFERNOTUMALDH1A1
SCHEMBL13968935 0.92 NOTUM (0.38) PDE4BHDAC1HDAC6NOTUMALDH1A1
SCHEMBL12459809 0.92 HDAC1 (0.35) PDE4BHDAC1HDAC6GFERNOTUM
SCHEMBL12459573 0.91 KCNH2 (0.37) ALDH1A1GPR183KCNH2
SCHEMBL12459565 0.91 HDAC1 (0.33) PDE4BHDAC1HDAC6ALDH1A1GPR183
SCHEMBL16975876 0.91 HDAC1 (0.31) HDAC1HDAC6
SCHEMBL13968953 0.90 HTR1A (0.33) PDE4BHDAC1HDAC6ALDH1A1GPR183
SCHEMBL12459611 0.90 SMN1; SMN2 (0.37) HDAC1HDAC6GFERALDH1A1DRD2
SCHEMBL12459574 0.90 CYP1A1 (0.35) PDE4BHDAC1HDAC6ALDH1A1

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 PDE4B 426/4885HDAC1 607/4885HDAC6 68/4885
US-20120295931-A1 SPIROINDOLINE COMPOUNDS FOR USE AS ANTHELMINTHICS PKD2, PKD1, PIR PDE4B 426/4885HDAC1 607/4885HDAC6 68/4885

“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.