Sugi Predict

Sugi Predict / Compounds / SCHEMBL12459573

SCHEMBL12459573

SCHEMBL12459573

COc1ccc2c(c1)C1(CCN(C/C=C/c3ccc(F)cc3F)CC1)CN2C(=O)c1ccnc(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.37
▸ NQO2 P16083 1/20 0.37
▸ PTGER2 P43116 1/20 0.37
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ LTB4R Q15722 1/20 0.37
▸ PTGDR2 Q9Y5Y4 1/20 0.37
▸ HTR1A P08908 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ FFAR1 O14842 1/20 0.33
▸ GPR183 P32249 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33

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
SCHEMBL12459572 0.94 HTR1A (0.37) KCNH2NQO2PTGER2PDE3BPDE3A
SCHEMBL12459581 0.93 HDAC1 (0.34) HTR1AADRA1AALDH1A1GPR183CYP2D6
SCHEMBL12459592 0.92 PDE4B (0.37) KCNH2
SCHEMBL12459591 0.91 PDE4B (0.32) KCNH2ALDH1A1GPR183
SCHEMBL13968935 0.91 NOTUM (0.38) HTR1AADRA1AALDH1A1GPR183
SCHEMBL12459570 0.90 PLA2G1B (0.40) NQO2PTGER2PDE3BPDE3ALTB4R
SCHEMBL12459565 0.90 HDAC1 (0.33) HTR1AADRA1AALDH1A1GPR183CYP2D6
SCHEMBL13968953 0.89 HTR1A (0.33) HTR1AADRA1AALDH1A1GPR183CYP2D6
SCHEMBL12459574 0.88 CYP1A1 (0.35) HTR1AALDH1A1FFAR1MEN1KMT2A
SCHEMBL14674858 0.88 GPR183 (0.32) GPR183

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 KCNH2 442/4885NQO2 106/4885PTGER2 186/4885
US-20120295931-A1 SPIROINDOLINE COMPOUNDS FOR USE AS ANTHELMINTHICS PKD2, PKD1, PIR KCNH2 442/4885NQO2 106/4885PTGER2 186/4885

“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.