SCHEMBL4151815

SCHEMBL4151815

Cc1cc(N)n2nc(-c3ccc(Br)cc3)cc2n1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.74
KDM4E B2RXH2 9/20 0.74
HPGD P15428 6/20 0.74
MAPT P10636 6/20 0.74
LMNA P02545 2/20 0.74
NPC1 O15118 12/20 0.73
RAB9A P51151 12/20 0.73
SMN1; SMN2 Q16637 7/20 0.73
NFKB1 P19838 1/20 0.73
HTT P42858 1/20 0.73
NFKB2 Q00653 1/20 0.73
RELA Q04206 1/20 0.73
NPSR1 Q6W5P4 1/20 0.70
PKM P14618 1/20 0.70
CDK5 Q00535 1/20 0.70
CDK5R1 Q15078 1/20 0.70
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
TP53 P04637 2/20 0.64
CYP2C19 P33261 1/20 0.61

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
SCHEMBL5309595 0.84 NPC1 (1.00) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL10236246 0.82 NPC1 (1.00) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL10279120 0.78 NPC1 (0.76) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL1458931 0.76 NPC1 (0.60) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL4146995 0.75 MAPT (0.58) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL10388599 0.75 KDM4E (0.66) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL21775456 0.73 NPC1 (0.57) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL23447727 0.72 ALDH1A1 (0.63) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL4148547 0.72 NPC1 (0.59) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL10112206 0.72 MAPT (0.56) ALDH1A1KDM4EHPGDMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4106822-B1 COMPOSITION COMPRISING MICRO-ENCAPSULATED MALODOR CONTROL AGENTS AND THEIR USE FOR REDUCING MALODORS HENKEL AG & CO KGAA (DE) 2024-04-17 EP disclosed
US-20090253611-A1 CONTROLLED BENEFIT AGENT DELIVERY SYSTEM DYKSTRA ROBERT RICHARD 2009-10-08 US disclosed
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 US disclosed
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 US disclosed
US-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds CORFIELD JOHN ANDREW 2009-05-28 US disclosed
EP-1971599-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SmithKline Beecham Corporation (US) 2008-09-24 EP disclosed
WO-2007071434-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-28 WO disclosed
WO-2007039146-A1 4-CARBOXY PYRAZOLE DERIVATIVES AS ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-12 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-20090136448-A1 Antiviral 2-Carboxy-Thiophene Compounds EIF2AK2, HAVCR2, MAVS ALDH1A1 1037/4885KDM4E 794/4885HPGD 4655/4885
US-20090253611-A1 CONTROLLED BENEFIT AGENT DELIVERY SYSTEM SLC2A8, SLC2A4, SLC2A2 ALDH1A1 99/4885KDM4E 3816/4885HPGD 393/4885

“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.