SCHEMBL9940103

SCHEMBL9940103

O=C(OCc1ccccc1)c1cnc(-c2ccc(Br)nc2)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.48
MMP12 P39900 5/20 0.48
MMP1 P03956 5/20 0.48
MMP9 P14780 4/20 0.48
PIN1 Q13526 1/20 0.47
TDP1 Q9NUW8 3/20 0.43
KMT2A Q03164 2/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL16661268 0.81 TDP1 (0.41) MMP2MMP12MMP1MMP9TDP1
SCHEMBL9940321 0.76 PIN1 (0.67) PIN1ALDH1A1
SCHEMBL17772403 0.76 PIN1 (0.33) PIN1
SCHEMBL20181861 0.76 MMP2 (0.55) MMP2MMP12MMP1MMP9TDP1
SCHEMBL22479156 0.74 KDM4E (0.48) MMP2MMP12MMP1MMP9TDP1
SCHEMBL21442370 0.74 MMP2 (0.58) MMP2MMP12MMP1MMP9TDP1
SCHEMBL4081417 0.73 PIN1 (0.62) MMP2PIN1KMT2ATSHRLMNA
SCHEMBL20173265 0.73 MMP2 (0.51) MMP2MMP12MMP1MMP9TDP1
SCHEMBL4893631 0.73 PIN1 (0.66) MMP2MMP1MMP9PIN1KMT2A
SCHEMBL23682708 0.71 MMP2 (0.49) MMP2MMP12MMP1MMP9TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9975871-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-05-22 US disclosed
US-9975871-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-05-22 US disclosed
US-9975871-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2018-05-22 US disclosed
US-20160272614-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-09-22 US disclosed
US-20160272614-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-09-22 US disclosed
US-20160272614-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-09-22 US disclosed
EP-2651915-B1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-25 EP disclosed
EP-2651915-B1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORP (JP) 2016-05-25 EP disclosed
US-9302996-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-04-05 US disclosed
US-9302996-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-04-05 US disclosed
US-9302996-B2 Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2016-04-05 US disclosed
CN-103261185-B Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORP 2014-12-10 CN disclosed
EP-2651915-A1 CONTINUOUS ARYCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2013-10-23 EP disclosed
US-20130261128-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-03 US disclosed
US-20130261128-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-03 US disclosed
US-20130261128-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-10-03 US disclosed
CN-103261185-A Continuous arycyclic compound MITSUBISHI TANABE PHARMA CORP 2013-08-21 CN disclosed
WO-2012081736-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-21 WO disclosed
WO-2012081736-A1 CONTINUOUS ARYCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-06-21 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-20130261128-A1 CONTINUOUS ARYCYCLIC COMPOUND DGAT1, DGAT2, SOAT1 MMP2 2301/4885MMP12 2115/4885MMP1 2119/4885
US-20160272614-A1 CONTINUOUS ARYCYCLIC COMPOUND DGAT1, DGAT2, SOAT1 MMP2 2301/4885MMP12 2115/4885MMP1 2119/4885

“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.