SCHEMBL3493480

SCHEMBL3493480

CCOC(=O)c1sc2nc(C(F)(F)F)ccc2c1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.63
SMN1; SMN2 Q16637 6/20 0.63
NPC1 O15118 5/20 0.63
RAB9A P51151 5/20 0.63
HPGD P15428 5/20 0.63
MAPT P10636 7/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
NFKB1 P19838 2/20 0.58
NFKB2 Q00653 2/20 0.58
RELA Q04206 2/20 0.58
POLB P06746 1/20 0.58
ALDH1A1 P00352 7/20 0.50
HSD17B10 Q99714 4/20 0.50
GAA P10253 3/20 0.50
CASP1 P29466 2/20 0.50
GLA P06280 2/20 0.50
CASP7 P55210 1/20 0.50
ATM Q13315 1/20 0.50
IKBKB O14920 2/20 0.47

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
SCHEMBL22957567 0.86 KDM4E (0.56) KDM4ESMN1; SMN2NPC1RAB9AHPGD
SCHEMBL3491232 0.85 KDM4E (0.46) KDM4ESMN1; SMN2NPC1RAB9AHPGD
SCHEMBL29707339 0.83 KDM4E (0.70) KDM4ESMN1; SMN2NPC1RAB9AHPGD
SCHEMBL3494383 0.83 KDM4E (0.70) KDM4ESMN1; SMN2NPC1RAB9AHPGD
SCHEMBL22957447 0.81 KDM4E (0.67) KDM4ESMN1; SMN2NPC1RAB9AHPGD
SCHEMBL22957547 0.81 KDM4E (0.67) KDM4ESMN1; SMN2NPC1RAB9AHPGD
SCHEMBL22957566 0.80 USP28 (0.48) KDM4ESMN1; SMN2NPC1RAB9AHPGD
SCHEMBL25808573 0.80 KDM4E (0.65) KDM4ESMN1; SMN2NPC1RAB9AHPGD
SCHEMBL5858952 0.79 KDM4E (0.64) KDM4ESMN1; SMN2NPC1RAB9AHPGD
SCHEMBL26784104 0.79 ADORA2A (0.65) KDM4ESMN1; SMN2NPC1RAB9AHPGD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-20100113418-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-06 US disclosed
US-20100093777-A1 SPIRO-RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
US-20100093777-A1 SPIRO-RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-15 US disclosed
EP-2128163-A1 SPIRO-RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 EP disclosed
EP-2128163-A1 SPIRO-RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 EP disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP disclosed
EP-2123652-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-11-25 EP 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-20100093777-A1 SPIRO-RING COMPOUND ACACA, PC, ACACB KDM4E 1490/4885SMN1; SMN2 1640/4885NPC1 596/4885
US-20100113418-A1 HETEROCYCLIC COMPOUND ACACA, ACAT1, CPT1B KDM4E 1143/4885SMN1; SMN2 889/4885NPC1 1194/4885

“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.