SCHEMBL145409

SCHEMBL145409

CCCCC1(CCCC)C(=O)NC(=S)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 3/20 0.47
PKM P14618 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 4/20 0.44
MMP2 P08253 5/20 0.43
MMP9 P14780 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CRHBP P24387 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
CRHR2 Q13324 1/20 0.43
MMP8 P22894 4/20 0.41

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
SCHEMBL8033430 0.86 LMNA (0.51) KMT2AKDM4EPKMALDH1A1MEN1
SCHEMBL10582778 0.85 CPT1A (0.43) KMT2AKDM4EPKMALDH1A1MEN1
SCHEMBL1683293 0.82 LMNA (0.58) KMT2AKDM4EALDH1A1MEN1LMNA
SCHEMBL10580926 0.79 CPT1A (0.51) KMT2AKDM4EPKMALDH1A1MEN1
SCHEMBL10582675 0.79 CPT1A (0.51) KMT2AKDM4EPKMALDH1A1MEN1
SCHEMBL10583965 0.79 CPT1A (0.51) KMT2AKDM4EPKMALDH1A1MEN1
SCHEMBL10582806 0.79 CPT1A (0.51) KMT2AKDM4EPKMALDH1A1MEN1
SCHEMBL321827 0.77 LMNA (0.64) KMT2AKDM4EPKMALDH1A1MEN1
SCHEMBL1119074 0.75 LMNA (0.61) KMT2AKDM4EPKMALDH1A1MEN1
SCHEMBL5450754 0.74 MMP9 (0.67) KMT2AMEN1LMNAMMP2MMP9

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-20120059163-A1 Non-linear opticaly active molecules, their synthesis, and use OPTIMER PHOTONICS, INC. (US) 2012-03-08 US disclosed
US-20080004415-A1 Non-linear optically active molecules, their synthesis, and use OPTIMER PHOTONICS, INC. (US) 2008-01-03 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 (2 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-20120059163-A1 Non-linear opticaly active molecules, their synthesis, and use INCENP, CYBA, ADCY5 KMT2A 3041/4885KDM4E 2422/4885PKM 447/4885
US-20080004415-A1 Non-linear optically active molecules, their synthesis, and use INCENP, CYBA, PAICS KMT2A 2961/4885KDM4E 2483/4885PKM 427/4885

“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.