SCHEMBL14730686

SCHEMBL14730686

NNc1ccc(Cl)nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
GOT1 P17174 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
IDO1 P14902 1/20 0.31
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30
PIK3CD O00329 1/20 0.30

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
SCHEMBL7947327 0.76 SIRT2 (0.32) ALDH1A1GAASIRT2MEN1KMT2A
SCHEMBL15718645 0.76 SIRT2 (0.36) ALDH1A1GAASIRT2KDM4EIDO1
SCHEMBL13950504 0.71 SMN1; SMN2 (0.39) MAPTALDH1A1MEN1LMNAKMT2A
SCHEMBL12274479 0.71 NR4A2 (0.39) MAPTALDH1A1GAAKDM4EMEN1
SCHEMBL15832541 0.71
SCHEMBL3645280 0.70 ALDH1A1 (0.38) MAPTALDH1A1GAAMEN1POLB
SCHEMBL25382722 0.69 TAS2R38 (0.36) ALDH1A1GAASIRT2MEN1LMNA
SCHEMBL20517853 0.69 PIK3CD (0.43) PIK3CD
SCHEMBL13045032 0.69 ESR1 (0.47) MAPTALDH1A1KDM4EMEN1LMNA
SCHEMBL5100980 0.69 KDM4E (0.46) MAPTALDH1A1CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340539-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
US-9340539-B2 Hepatitis C inhibitor compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-17 US disclosed
US-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 US disclosed
US-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-20 US disclosed
WO-2013026163-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-28 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 (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-20140343077-A1 HEPATITIS C INHIBITOR COMPOUNDS HCCS, C1R, HAVCR2 MAPT 4686/4885ALDH1A1 1605/4885GAA 3419/4885

“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.