SCHEMBL6192012

SCHEMBL6192012

COc1ccc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(OC)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPG P10696 4/20 0.69
CDC25A P30304 2/20 0.69
CDC25B P30305 2/20 0.69
NPSR1 Q6W5P4 1/20 0.64
ALPL P05186 1/20 0.63
ALDH1A1 P00352 2/20 0.61
LMNA P02545 2/20 0.61
KDM4E B2RXH2 1/20 0.61
MAPT P10636 3/20 0.61
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
POLB P06746 1/20 0.59
THRB P10828 2/20 0.59
HPGD P15428 1/20 0.59
TNKS O95271 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TNKS2 Q9H2K2 1/20 0.59
ALOX15 P16050 1/20 0.59

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
SCHEMBL6192401 0.97 ALPG (0.74) ALPGCDC25ACDC25BNPSR1ALPL
SCHEMBL6213562 0.95 ALPG (0.64) ALPGCDC25ACDC25BNPSR1ALPL
SCHEMBL6192004 0.95 ALPG (0.75) ALPGCDC25ACDC25BNPSR1ALPL
SCHEMBL6844152 0.95 ALPG (0.75) ALPGCDC25ACDC25BNPSR1ALPL
SCHEMBL6193193 0.95 CDC25A (0.74) ALPGCDC25ACDC25BNPSR1ALDH1A1
SCHEMBL6211327 0.88 CDC25A (0.83) ALPGCDC25ACDC25BNPSR1ALDH1A1
SCHEMBL6211145 0.87 SMN1; SMN2 (0.64) ALPGCDC25ACDC25BNPSR1ALPL
SCHEMBL13856844 0.87 ALPG (0.64) ALPGCDC25ACDC25BALPLALDH1A1
SCHEMBL6213142 0.86 NPSR1 (0.64) ALPGCDC25ACDC25BNPSR1ALDH1A1
SCHEMBL6191872 0.86 TP53 (0.58) ALPGCDC25ACDC25BNPSR1ALDH1A1

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
EP-1597249-A1 ANTHELMINTIC AGENTS AND INSECTICIDAL COMPOSITIONS Pharmacia & Upjohn Company LLC (US) 2005-11-23 EP claimed
WO-2004074272-A1 ANTHELMINTIC AGENTS AND INSECTICIDAL COMPOSITIONS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-09-02 WO claimed
US-20040171650-A1 Novel anthelmintic and insecticidal compositions LEE BYUNG HYUN (US) 2004-09-02 US claimed

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-20040171650-A1 Novel anthelmintic and insecticidal compositions ACHE, AADAC, BCHE ALPG 1101/4885CDC25A 2487/4885CDC25B 2189/4885

“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.