SCHEMBL12459593

SCHEMBL12459593

O=C(c1ccnc(Cl)c1)N1CC2(CCN(C/C=C/c3ccc(Cl)c(Cl)c3)CC2)c2cc(Cl)ccc21

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.40
GPR183 P32249 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
EBP Q15125 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
DHCR7 Q9UBM7 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
SCHEMBL18644374 0.94 NOTUM (0.41) NOTUMGPR183SMN1; SMN2MEN1LMNA
SCHEMBL13968936 0.93 NOTUM (0.42) NOTUMSMN1; SMN2MEN1LMNAKMT2A
SCHEMBL12459703 0.93 NOTUM (0.38) NOTUMGPR183SMN1; SMN2MEN1LMNA
SCHEMBL12459606 0.92 SMN1; SMN2 (0.35) NOTUMGPR183SMN1; SMN2HDAC1HDAC6
SCHEMBL13968991 0.92 NOTUM (0.39) NOTUMGPR183SMN1; SMN2MEN1LMNA
SCHEMBL12459700 0.92 NOTUM (0.40) NOTUMSMN1; SMN2MEN1LMNAKMT2A
SCHEMBL12459707 0.91 NOTUM (0.40) NOTUMSMN1; SMN2MEN1LMNAKMT2A
SCHEMBL12459563 0.91 L3MBTL1 (0.39) GPR183SMN1; SMN2MEN1KMT2A
SCHEMBL12459579 0.90 NOTUM (0.40) NOTUMSMN1; SMN2MEN1LMNAKMT2A
SCHEMBL13968931 0.90 NOTUM (0.42) NOTUMSMN1; SMN2MEN1LMNAKMT2A

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 NOTUM 1354/4885GPR183 518/4885SMN1; SMN2 3833/4885
US-20120295931-A1 SPIROINDOLINE COMPOUNDS FOR USE AS ANTHELMINTHICS PKD2, PKD1, PIR NOTUM 1354/4885GPR183 518/4885SMN1; SMN2 3833/4885

“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.