SCHEMBL6320579

SCHEMBL6320579

O=C1NCCNc2c1oc1ccc(Br)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
MAPT P10636 1/20 0.46
ALOX12 P18054 1/20 0.46
LMNA P02545 3/20 0.44
PRKD1 Q15139 2/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
CDK5 Q00535 1/20 0.44
CDK5R1 Q15078 1/20 0.44
PRKD2 Q9BZL6 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 1/20 0.44
PIM1 P11309 3/20 0.43
GABRP O00591 5/20 0.42
GABRD O14764 5/20 0.42
GABRA1 P14867 5/20 0.42
GABRB1 P18505 5/20 0.42
GABRG2 P18507 5/20 0.42
GABRB3 P28472 5/20 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
SCHEMBL6318692 0.82 ADORA3 (0.44) MAPTLMNAPRKD1HTTALDH1A1
SCHEMBL24454511 0.78 PIM1 (0.56) PIM1
SCHEMBL6313003 0.78 CDK1 (0.53) TSHRMAPTLMNAALDH1A1TP53
SCHEMBL6320291 0.77 CA12 (0.46) MAPTLMNAPRKD1HTTALDH1A1
SCHEMBL6312278 0.72 PIM1 (0.48) PIM1
SCHEMBL6311743 0.71 PIM1 (0.47) PIM1
SCHEMBL6311710 0.70 PIM1 (0.51) PIM1
SCHEMBL10323560 0.70 PRKD1 (0.44) MAPTLMNAPRKD1HTTALDH1A1
SCHEMBL6311897 0.69 PIM1 (0.46) PIM1
SCHEMBL12661317 0.69 TSHR (0.39) TSHRMAPTALOX12LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250765-A1 Diazepinones as antiviral agents CHO HIDETSURA 2005-11-10 US claimed
US-20040116410-A1 Diazepinones as antiviral agents CHO HIDETSURA (JP) 2004-06-17 US claimed
WO-2002014324-A2 DIAZEPINONES AS ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-02-21 WO claimed
US-20050250765-A1 Diazepinones as antiviral agents CHO HIDETSURA 2005-11-10 US disclosed
US-20040116410-A1 Diazepinones as antiviral agents CHO HIDETSURA (JP) 2004-06-17 US disclosed
WO-2002014324-A2 DIAZEPINONES AS ANTIVIRAL AGENTS WARNER-LAMBERT COMPANY (US) 2002-02-21 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 (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-20050250765-A1 Diazepinones as antiviral agents ZC3HAV1, ECI1, ZC3HAV1L TSHR 4587/4885MAPT 2154/4885ALOX12 1828/4885

“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.