SCHEMBL103538

SCHEMBL103538

CC1(c2ccc3c(n2)OCCO3)NC(=O)NC1=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.37
MAPT P10636 1/20 0.37
AKR1A1 P14550 1/20 0.37
AKR1B1 P15121 1/20 0.37
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL103407 0.74 LMNA (0.50) AKR1B10MAPTAKR1A1AKR1B1LMNA
SCHEMBL102894 0.72 AKR1B1 (0.36) AKR1B10MAPTAKR1A1AKR1B1LMNA
SCHEMBL105693 0.70 AKR1B1 (0.43) AKR1B1LMNAMEN1KMT2A
SCHEMBL543048 0.69 LMNA (0.48) AKR1B10MAPTAKR1A1AKR1B1LMNA
SCHEMBL104120 0.68 LMNA (0.47) AKR1B10MAPTAKR1A1AKR1B1LMNA
SCHEMBL4317934 0.67 LMNA (0.46) AKR1B10MAPTAKR1A1AKR1B1LMNA
SCHEMBL10200953 0.66 MEN1 (0.39) AKR1B1LMNAMEN1KMT2A
SCHEMBL10321749 0.65 PTGER3 (0.40) MAPTAKR1B1LMNAMEN1KMT2A
SCHEMBL101672 0.65 LMNA (0.47) AKR1B10MAPTAKR1A1AKR1B1LMNA
SCHEMBL102280 0.65 LMNA (0.50) MAPTAKR1B1LMNAMEN1KMT2A

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 4 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
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP 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 AKR1B10 495/4885MAPT 2589/4885AKR1A1 411/4885

“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.