SCHEMBL3248205

SCHEMBL3248205

CCOC(=O)C(C)(C#N)CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 3/20 0.44
TSHR P16473 2/20 0.44
CYP4F2 P78329 3/20 0.43
CYP4A11 Q02928 3/20 0.43
PKM P14618 3/20 0.37
MMP8 P22894 1/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
THRB P10828 1/20 0.35
ABCB11 O95342 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HTR2A P28223 1/20 0.35
PMP22 Q01453 1/20 0.35
PPARA Q07869 1/20 0.35
ALOX15 P16050 1/20 0.34
MGAM O43451 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
SCHEMBL15740584 0.86 MEN1 (0.47) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL31346403 0.84 MEN1 (0.46) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL9181204 0.84 MEN1 (0.50) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL14997791 0.82 MEN1 (0.33) MEN1KMT2AALDH1A1TSHR
SCHEMBL24872768 0.81 MEN1 (0.43) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL165754 0.81 MEN1 (0.43) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL14557124 0.81 TSHR (0.33) MEN1KMT2AALDH1A1TSHRTHRB
SCHEMBL15740594 0.81 MEN1 (0.43) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL20348152 0.81 MEN1 (0.47) MEN1KMT2AALDH1A1TSHRCYP4F2
SCHEMBL862703 0.81 ALDH1A1 (0.44) ALDH1A1TSHRLMNACYP1A2CYP2C9

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101547907-B Antibacterial quinoline derivatives JANSSEN PHARMACEUTICA NV 2013-01-02 CN claimed
EP-2099762-B1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2010-05-12 EP claimed
US-20100069366-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN-CILAG (NJ) 2010-03-18 US claimed
CN-101547907-A Antibacterial quinoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2009-09-30 CN claimed
EP-2099762-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-16 EP claimed
WO-2008068266-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 WO claimed
US-20130140064-A1 METHOD OF MAKING ELECTRONIC DEVICES USING SELECTIVE DEPOSITION BANK OF AMERICA, N.A., AS AGENT 2013-06-06 US disclosed
CN-101547907-B Antibacterial quinoline derivatives JANSSEN PHARMACEUTICA NV 2013-01-02 CN disclosed
EP-2099762-B1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2010-05-12 EP disclosed
US-20100069366-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN-CILAG (NJ) 2010-03-18 US disclosed
US-20090291938-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-26 US disclosed
CN-101547907-A Antibacterial quinoline derivatives JANSSEN PHARMACEUTICA NV (BE) 2009-09-30 CN disclosed
EP-2099762-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2009-09-16 EP disclosed
WO-2009067547-A1 POLO-LIKE KINASE INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 WO disclosed
WO-2008068266-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2008-06-12 WO 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-20090291938-A1 POLO-LIKE KINASE INHIBITORS PLK1, PLK2, POLK MEN1 3731/4885KMT2A 1796/4885ALDH1A1 4009/4885
US-20100069366-A1 ANTIBACTERIAL QUINOLINE DERIVATIVES NQO2, NDUFB5, NDUFB7 MEN1 3590/4885KMT2A 3475/4885ALDH1A1 2210/4885

“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.