SCHEMBL5578613

SCHEMBL5578613

COc1ccc([C]2N=NN=N2)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALOX12 P18054 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
PTPN1 P18031 2/20 0.45
TP53 P04637 1/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 2/20 0.41
TUBB1 Q9H4B7 2/20 0.40
PTGS2 P35354 2/20 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
SCHEMBL12326165 0.82 MAPT (0.56) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL29697785 0.82 MAPT (0.56) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL577589 0.77 MAPT (0.47) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL2494112 0.74 MAPT (0.54) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL31401478 0.74 MAPT (0.54) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL5578614 0.74 MAPT (0.47) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL28487175 0.73 MAPT (0.49) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL3924409 0.73 MAPT (0.57) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
Water SCHEMBL8845490 0.72 MAPT (0.56) MAPTALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL6641490 0.72 ESR2 (0.50) MAPTALDH1A1HPGDPTPN1GAA

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
US-20070021330-A1 Aza-peptide macrocyclic hepatitis c serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2007-01-25 US disclosed
US-7125845-B2 Aza-peptide macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2006-10-24 US disclosed
US-20050065073-A1 Aza-peptide macrocyclic hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. 2005-03-24 US disclosed
WO-2005010029-A1 AZA-PEPTIDE MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2005-02-03 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-20070021330-A1 Aza-peptide macrocyclic hepatitis c serine protease inhibitors VIP, CTSC, DPP4 MAPT 4684/4885ALDH1A1 2329/4885KDM4E 452/4885
US-20050065073-A1 Aza-peptide macrocyclic hepatitis C serine protease inhibitors VIP, CTSC, PRSS1 MAPT 4748/4885ALDH1A1 2265/4885KDM4E 510/4885

“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.