SCHEMBL104637

SCHEMBL104637

CC1(c2ccc3occc3c2)NC(=O)NC1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TNKS O95271 1/20 0.40
MMP2 P08253 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
CYP2A6 P11509 3/20 0.38
DYRK1A Q13627 4/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CDK9 P50750 1/20 0.36
PTGER3 P43115 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
MAOA P21397 1/20 0.34
ACHE P22303 1/20 0.34
CYP2C19 P33261 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
SCHEMBL103819 0.88 LMNA (0.56) LMNAMEN1KMT2ATNKSCYP2A6
SCHEMBL1101036 0.77 LMNA (0.47) LMNAMEN1KMT2ATNKSPTGER3
SCHEMBL104830 0.77 LMNA (0.41) LMNAMEN1KMT2AMMP2ADAMTS5
SCHEMBL542484 0.75 LMNA (0.70) LMNAMEN1KMT2ATNKSMMP2
SCHEMBL3915449 0.72 LMNA (0.57) LMNAMEN1KMT2ATNKSCYP2A6
SCHEMBL542805 0.70 LMNA (0.55) LMNAMEN1KMT2ATNKSMMP2
SCHEMBL542398 0.70 LMNA (0.55) LMNAMEN1KMT2ATNKSMMP2
SCHEMBL9823335 0.70 LMNA (0.55) LMNAMEN1KMT2ATNKSMMP2
SCHEMBL10018773 0.70 PDK2 (0.43) LMNAMEN1KMT2ACYP2A6SLC6A2
SCHEMBL103407 0.69 LMNA (0.50) LMNAMEN1KMT2A

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 LMNA 1575/4885MEN1 3479/4885KMT2A 2327/4885

“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.