SCHEMBL104830

SCHEMBL104830

CC1(c2cc3ccoc3cn2)NC(=O)NC1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
CHRNA7 P36544 5/20 0.38
HTR3A P46098 3/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGER3 P43115 1/20 0.36
MMP2 P08253 1/20 0.33
ADAMTS5 Q9UNA0 1/20 0.33
TNF P01375 1/20 0.33
DYRK1A Q13627 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2A6 P11509 1/20 0.33
CYP2C9 P11712 1/20 0.33
NFKB1 P19838 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
SCHEMBL104637 0.77 LMNA (0.56) LMNAMEN1KMT2APTGER3MMP2
SCHEMBL103819 0.74 LMNA (0.56) LMNAMEN1KMT2APTGER3KDM4E
SCHEMBL1101036 0.72 LMNA (0.47) LMNAMEN1KMT2APTGER3
SCHEMBL102894 0.69 AKR1B1 (0.36) LMNACHRNA7MEN1KMT2A
SCHEMBL55605 0.65 CHRNA7 (0.48) CHRNA7HTR3ADYRK1AHTR3EHTR3B
SCHEMBL13073512 0.65 CYP2A6 (0.47) CHRNA7HTR3ADYRK1AHTR3EHTR3B
SCHEMBL9823205 0.64 ALDH1A1 (0.41) LMNAMEN1KMT2APTGER3KDM4E
SCHEMBL12878198 0.63 MEN1 (0.39) LMNAMEN1KMT2AMMP2ADAMTS5
SCHEMBL542710 0.63 HCAR2 (0.39) LMNAMEN1KMT2APTGER3MMP2
SCHEMBL842797 0.63 KMO (0.57) CHRNA7HTR3ADYRK1AHTR3EHTR3B

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 1575/4885CHRNA7 732/4885HTR3A 3100/4885

“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.