SCHEMBL14647352

SCHEMBL14647352

O=C(NCc1nccnc1Cl)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.48
ALDH1A1 P00352 2/20 0.48
USP2 O75604 1/20 0.48
HDAC6 Q9UBN7 1/20 0.45
KDM4E B2RXH2 3/20 0.44
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43
EPHX1 P07099 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
PKM P14618 1/20 0.42
EPHX2 P34913 1/20 0.42
HSD17B10 Q99714 1/20 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
SCHEMBL16748916 0.98 HPGD (0.49) HPGDALDH1A1USP2HDAC6KDM4E
SCHEMBL402325 0.97 HPGD (0.50) HPGDALDH1A1USP2HDAC6KDM4E
SCHEMBL16748878 0.92 MAPT (0.46) HPGDALDH1A1USP2KDM4ENPC1
SCHEMBL2324089 0.87 MAPT (0.42) HPGDALDH1A1USP2KDM4ENPC1
SCHEMBL2324096 0.87 MAPT (0.42) HPGDALDH1A1USP2KDM4ENPC1
SCHEMBL25230096 0.87 USP2 (0.43) HPGDALDH1A1USP2KDM4EMAPT
SCHEMBL2326856 0.87 MAPT (0.42) HPGDALDH1A1USP2KDM4ENPC1
SCHEMBL3646039 0.87 USP2 (0.43) HPGDALDH1A1USP2KDM4EMAPT
SCHEMBL17893399 0.86 HPGD (0.43) HPGDALDH1A1USP2KDM4EERCC1
SCHEMBL22235969 0.86 HPGD (0.40) HPGDALDH1A1USP2HDAC6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
EP-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 US disclosed
US-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-06-20 US disclosed
WO-2018038265-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND 田辺三菱製薬株式会社 2018-03-01 WO disclosed
WO-2013010380-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-01-24 WO disclosed
EP-2548877-A1 4-(5-Membered fused pyridinyl)benzamides as BTK-inhibitors MSD Oss B.V. (NL) 2013-01-23 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-20190185479-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND PDE7B, PDE3A, PDE7A HPGD 252/4885ALDH1A1 1644/4885USP2 2723/4885

“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.