SCHEMBL45682

SCHEMBL45682

O=C1c2ccccc2C(=O)N1Cc1cccnc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.75
UBE2N P61088 1/20 0.75
ATM Q13315 1/20 0.75
CYP1B1 Q16678 2/20 0.64
NAMPT P43490 2/20 0.61
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
HTT P42858 2/20 0.59
POLB P06746 1/20 0.59
MAPT P10636 1/20 0.59
MAPK1 P28482 1/20 0.59
RAB9A P51151 1/20 0.59
CCR6 P51684 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
LMNA P02545 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CASP3 P42574 1/20 0.57
TSHR P16473 1/20 0.57

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
SCHEMBL18121471 0.88 KDM4E (0.78) KDM4EUBE2NATMCYP1B1NAMPT
SCHEMBL16862969 0.84 KDM4E (0.67) KDM4EUBE2NATMCYP1B1NAMPT
SCHEMBL9145698 0.84 KDM4E (0.59) KDM4EUBE2NATMCYP1B1KMT2A
SCHEMBL3265430 0.84 CYP1B1 (0.62) KDM4EUBE2NATMCYP1B1KMT2A
SCHEMBL22258208 0.83 KDM4E (0.70) KDM4EUBE2NATMCYP1B1KMT2A
SCHEMBL4625203 0.83 CES1 (0.69) KDM4EUBE2NATMCYP1B1HTT
SCHEMBL14971246 0.81 MEN1 (0.74) KDM4EUBE2NATMNAMPTKMT2A
SCHEMBL30596967 0.81 MEN1 (0.74) KDM4EUBE2NATMNAMPTKMT2A
SCHEMBL9144515 0.81 ALDH1A1 (0.54) KDM4EUBE2NATMCYP1B1KMT2A
SCHEMBL9142852 0.81 ALDH1A1 (0.62) KDM4EUBE2NATMNAMPTPOLB

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
WO-2012002913-A1 PROCESS OF FORMING A CYCLIC IMIDE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-01-05 WO disclosed
US-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 US disclosed
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 US disclosed
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 EP 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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 KDM4E 1573/4885UBE2N 4417/4885ATM 4295/4885

“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.