SCHEMBL2351817

SCHEMBL2351817

CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)c1ccnc(Cl)c1)c1ccc(F)cc12

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC2 Q92769 2/20 0.39
POLB P06746 1/20 0.39
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AKT1 P31749 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CCNT1 O60563 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK9 P50750 1/20 0.37
CCNA1 P78396 1/20 0.37
MAPT P10636 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL2347648 0.91 NOTUM (0.46) HDAC1HDAC8HDAC6POLBJAK2
SCHEMBL1689600 0.89 HDAC1 (0.51) HDAC1HDAC8HDAC6POLBJAK2
Hydrochloric Acid SCHEMBL2351254 0.80 AKT1 (0.42) AKT1
SCHEMBL5578541 0.79 HDAC1 (0.36) HDAC1HDAC6AKT1SMN1; SMN2
SCHEMBL2264163 0.77 HDAC1 (0.39) HDAC1HDAC6
SCHEMBL6179731 0.77 MEN1 (0.61) POLBMEN1KMT2ALMNASMN1; SMN2
SCHEMBL14674410 0.76 ENPP2 (0.42) HDAC1HDAC8HDAC6
SCHEMBL12459607 0.76 SMN1; SMN2 (0.36) HDAC1HDAC6AKT1SMN1; SMN2
SCHEMBL12459710 0.76 SMN1; SMN2 (0.37) HDAC1HDAC6POLBMEN1KMT2A
SCHEMBL895335 0.75 SMN1; SMN2 (0.38) HDAC1HDAC6LMNASMN1; SMN2

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-9598412-B2 Spiroindoline compounds for use as anthelminthics INTERVET INC. (US) 2017-03-21 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
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 607/4885HDAC8 648/4885HDAC6 68/4885
US-20120295931-A1 SPIROINDOLINE COMPOUNDS FOR USE AS ANTHELMINTHICS PKD2, PKD1, PIR HDAC1 607/4885HDAC8 648/4885HDAC6 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.