SCHEMBL6713871

SCHEMBL6713871

O=C(NCc1ccc(Cl)cc1)c1cnc2cnc(Br)nc2c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 4/20 0.56
LMNA P02545 2/20 0.46
HPGD P15428 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLA1 P09884 2/20 0.44
NR3C1 P04150 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A1 P04798 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL6713560 0.83 EGLN1 (0.52) EGLN1LMNAHPGDCYP1A2CYP2C9
SCHEMBL6200288 0.77 AKR1B1 (0.48) EGLN1LMNAHPGDCYP1A2CYP2C9
SCHEMBL6198157 0.77 EGLN1 (0.55) EGLN1LMNAHPGDCYP1A2CYP2C9
SCHEMBL6717307 0.77 RXFP1 (0.49) EGLN1ALDH1A1POLA1NPC1RAB9A
SCHEMBL6669782 0.77 EGLN1 (0.50) EGLN1LMNAHPGDCYP1A2CYP2C9
SCHEMBL6199742 0.76 EGLN1 (0.51) EGLN1LMNAHPGDCYP1A2CYP2C9
SCHEMBL6198849 0.76 EGLN1 (0.51) EGLN1LMNAHPGDCYP1A2CYP2C9
SCHEMBL6202038 0.76 EGLN1 (0.54) EGLN1LMNAHPGDCYP1A2CYP2C9
SCHEMBL6201550 0.75 NR3C1 (0.51) EGLN1LMNAHPGDCYP1A2CYP2C9
SCHEMBL6199980 0.74 POLA1 (0.53) EGLN1LMNAHPGDCYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040180910-A1 Heterocycle carboxamides as antiviral agents SCHNUTE MARK E (US) 2004-09-16 US disclosed
US-6730682-B2 HERPES VIRUS PHARMACIA & UPJOHN COMPANY 2004-05-04 US disclosed
US-20020019397-A1 Heterocycle carboxamides as antiviral agents PHARMACIA & UPJOHN COMPANY 2002-02-14 US 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-20040180910-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 EGLN1 134/4885LMNA 4330/4885HPGD 1618/4885
US-20020019397-A1 Heterocycle carboxamides as antiviral agents ZC3HAV1, ZC3HAV1L, HDAC1 EGLN1 134/4885LMNA 4330/4885HPGD 1618/4885

“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.