SCHEMBL12459604

SCHEMBL12459604

O=C(c1ccnc(Cl)c1)N1CC2(CCN(C/C=C/c3cc(F)cc(F)c3)CC2)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
FFAR1 O14842 1/20 0.34
HTR1A P08908 1/20 0.32
CYP3A4 P08684 6/20 0.32
USP2 O75604 5/20 0.32
CYP2C9 P11712 3/20 0.32
TSHR P16473 3/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
UBE2M P61081 1/20 0.32
DCUN1D1 Q96GG9 1/20 0.32
CYP2D6 P10635 2/20 0.32
HIF1A Q16665 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 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
SCHEMBL12459803 0.94 SMN1; SMN2 (0.36) SMN1; SMN2HDAC1HDAC6FFAR1HTR1A
SCHEMBL12459804 0.93 SMN1; SMN2 (0.37) SMN1; SMN2HDAC1HDAC6FFAR1HTR1A
SCHEMBL12459698 0.92 SMN1; SMN2 (0.36) SMN1; SMN2HDAC1HDAC6FFAR1HTR1A
SCHEMBL12459607 0.91 SMN1; SMN2 (0.36) SMN1; SMN2HDAC1HDAC6CYP3A4USP2
SCHEMBL18644377 0.90 SMN1; SMN2 (0.35) SMN1; SMN2HDAC1HDAC6FFAR1CYP3A4
SCHEMBL12459704 0.89 NOTUM (0.39) SMN1; SMN2HDAC1HDAC6MEN1KMT2A
SCHEMBL12459574 0.89 CYP1A1 (0.35) SMN1; SMN2HDAC1HDAC6FFAR1HTR1A
SCHEMBL1689614 0.89 NOTUM (0.38) SMN1; SMN2HDAC1HDAC6CYP3A4USP2
SCHEMBL1689611 0.89 NOTUM (0.38) SMN1; SMN2HDAC1HDAC6CYP3A4USP2
SCHEMBL12459807 0.87 SMN1; SMN2 (0.35) SMN1; SMN2HDAC1HDAC6FFAR1CYP3A4

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 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.