SCHEMBL12459698

SCHEMBL12459698

O=C(c1ccnc(Cl)c1)N1CC2(CCN(C/C=C/c3ccc(Cl)cc3)CC2)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
EBP Q15125 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
NOTUM Q6P988 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34
FFAR1 O14842 1/20 0.34
DHCR7 Q9UBM7 1/20 0.34
LMNA P02545 1/20 0.33
HTR1A P08908 1/20 0.33
USP2 O75604 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL12459804 0.97 SMN1; SMN2 (0.37) SMN1; SMN2HDAC1HDAC6FFAR1HTR1A
SCHEMBL1689611 0.95 NOTUM (0.38) SMN1; SMN2HDAC1HDAC6IDO1TDO2
SCHEMBL1689614 0.95 NOTUM (0.38) SMN1; SMN2HDAC1HDAC6IDO1TDO2
SCHEMBL12459803 0.95 SMN1; SMN2 (0.36) SMN1; SMN2HDAC1HDAC6FFAR1HTR1A
SCHEMBL18644377 0.94 SMN1; SMN2 (0.35) SMN1; SMN2HDAC1HDAC6IDO1TDO2
SCHEMBL12459604 0.92 SMN1; SMN2 (0.34) SMN1; SMN2HDAC1HDAC6IDO1TDO2
SCHEMBL13968936 0.91 NOTUM (0.42) SMN1; SMN2HDAC1HDAC6EBPSIGMAR1
SCHEMBL12459807 0.91 SMN1; SMN2 (0.35) SMN1; SMN2HDAC1HDAC6FFAR1USP2
SCHEMBL12459580 0.90 ALDH1A1 (0.36) SMN1; SMN2HDAC1HDAC6IDO1TDO2
SCHEMBL895333 0.90 SMN1; SMN2 (0.38) SMN1; SMN2HDAC1HDAC6EBPSIGMAR1

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 7 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-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
US-20150057302-A1 SPIROINDOLINE COMPOUNDS FOR USE AS ANTHELMINTHICS INTERVET INC. 2015-02-26 US 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 SMN1; SMN2 3833/4885HDAC1 607/4885HDAC6 68/4885
US-20120295931-A1 SPIROINDOLINE COMPOUNDS FOR USE AS ANTHELMINTHICS PKD2, PKD1, PIR SMN1; SMN2 3833/4885HDAC1 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.