SCHEMBL2800240

SCHEMBL2800240

CNC(=O)COc1cccc2c1ccc(=O)n2CCN1CCC(N(Cc2ccc3c(c2)OCCO3)C(=O)O)CC1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
UBE2M P61081 6/20 0.37
DCUN1D1 Q96GG9 6/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPK1 P28482 1/20 0.34
MCHR1 Q99705 1/20 0.34
MEN1 O00255 1/20 0.34
SHH Q15465 1/20 0.33
SMO Q99835 1/20 0.33
POLB P06746 1/20 0.33
HTR6 P50406 1/20 0.33

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
SCHEMBL2800239 0.91 LMNA (0.40) ALDH1A1UBE2MDCUN1D1LMNAKDM4E
SCHEMBL5042237 0.90 ALDH1A1 (0.42) ALDH1A1KMT2AMAPTUBE2MDCUN1D1
SCHEMBL2796346 0.89 LMNA (0.40) MAPTUBE2MDCUN1D1LMNA
SCHEMBL2799030 0.87 UBE2M (0.38) ALDH1A1UBE2MDCUN1D1LMNASMN1; SMN2
SCHEMBL2800189 0.87 UBE2M (0.38) ALDH1A1UBE2MDCUN1D1LMNASHH
SCHEMBL2797191 0.87 UBE2M (0.38) ALDH1A1UBE2MDCUN1D1LMNASHH
SCHEMBL2799746 0.86 LMNA (0.40) UBE2MDCUN1D1LMNA
SCHEMBL2798601 0.85 UBE2M (0.36) ALDH1A1MAPTUBE2MDCUN1D1LMNA
SCHEMBL2800232 0.84 ALDH1A1 (0.40) ALDH1A1KMT2AMAPTUBE2MDCUN1D1
SCHEMBL2800311 0.84 UBE2M (0.40) ALDH1A1UBE2MDCUN1D1LMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329694-B2 Quinoxalinones as antibacterial composition TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2010-07-01 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-20100168418-A1 NOVEL NITROGENATED HETEROCYCLIC COMPOUND AND SALT THEREOF ROS1, NOX1, ARG1 ALDH1A1 2925/4885KMT2A 1173/4885MAPT 4858/4885

“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.