SCHEMBL13033405

SCHEMBL13033405

Cn1c(-c2cc(N3CCC4(CC3)OCCO4)ccc2Cl)nc2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 9/20 0.51
KDM4E B2RXH2 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PDE2A O00408 1/20 0.41
KDR P35968 1/20 0.41
PTK2 Q05397 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
DRD4 P21917 1/20 0.40
MAPK1 P28482 1/20 0.40
GRM2 Q14416 1/20 0.40
CYP2C9 P11712 1/20 0.39
LGMN Q99538 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL3508187 0.82 SMO (0.49) SMOKDM4ENPC1RAB9AKDR
SCHEMBL29978187 0.81 SMO (0.52) SMOKDM4ENPC1RAB9APDE2A
SCHEMBL20867350 0.81 SMO (0.52) SMOKDM4ENPC1RAB9APDE2A
SCHEMBL3512937 0.81 SMO (0.41) SMOKDM4ENPC1RAB9APDE2A
Hydrochloric Acid SCHEMBL28341347 0.81 SMO (0.51) SMOKDM4ENPC1RAB9APDE2A
Hydrochloric Acid SCHEMBL29978257 0.81 SMO (0.51) SMOKDM4ENPC1RAB9APDE2A
SCHEMBL13816840 0.80 SMO (0.53) SMOKDM4EOPRM1OPRD1SMN1; SMN2
SCHEMBL29979041 0.77 SMO (0.53) SMOKDM4EPDE2AOPRM1OPRD1
SCHEMBL28343826 0.77 SMO (0.53) SMOKDM4EPDE2AOPRM1OPRD1
SCHEMBL3509799 0.76 KDM4E (0.48) KDM4ENPC1RAB9AKDRSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2010-11-11 US 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 (1 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-20100286114-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO SMO 3/4885KDM4E 3170/4885NPC1 380/4885

“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.