SCHEMBL3596569

SCHEMBL3596569

COC(=O)c1ccc(N2CCN(C(=O)O)CC2C)c(N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.57
ALDH1A1 P00352 4/20 0.57
NPC1 O15118 3/20 0.57
HPGD P15428 3/20 0.57
RAB9A P51151 2/20 0.57
MAPT P10636 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
GAA P10253 5/20 0.44
HSD17B10 Q99714 4/20 0.44
GLA P06280 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
POLB P06746 2/20 0.43
NR4A1 P22736 1/20 0.43
SMARCA2 P51531 2/20 0.41
SMARCA4 P51532 2/20 0.41
PBRM1 Q86U86 2/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL3596565 1.00 KDM4E (0.57) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL103470 0.86 ALDH1A1 (0.43) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL103471 0.86 ALDH1A1 (0.43) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL105500 0.86 SMARCA2 (0.55) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL3602135 0.82 KDM4E (0.55) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL3604193 0.82 MEN1 (0.52) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL3604311 0.82 ALDH1A1 (0.40) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL3604313 0.82 ALDH1A1 (0.40) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL3604315 0.82 ALDH1A1 (0.40) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL3604196 0.82 MEN1 (0.52) KDM4EALDH1A1HPGDMAPTSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 KDM4E 3663/4885ALDH1A1 4311/4885NPC1 163/4885

“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.