SCHEMBL5152197

SCHEMBL5152197

O=C(CSc1nc2cc(C(=O)NCCCN3CCCCC3)ccc2c(=O)n1CC1CCCO1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.65
▸ ALDH1A1 P00352 7/20 0.64
▸ KDM4E B2RXH2 2/20 0.64
▸ LMNA P02545 1/20 0.64
▸ SMN1; SMN2 Q16637 1/20 0.64
▸ NPSR1 Q6W5P4 3/20 0.57
▸ HTT P42858 1/20 0.57
▸ TSHR P16473 6/20 0.55
▸ ATM Q13315 1/20 0.55
▸ USP2 O75604 3/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ HPGD P15428 4/20 0.54
▸ RECQL P46063 2/20 0.54
▸ MEN1 O00255 3/20 0.53
▸ GAA P10253 2/20 0.53
▸ MAPT P10636 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ ESR1 P03372 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53

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
SCHEMBL5458027 0.89 TP53 (0.74) TP53ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL14428687 0.85 KMT2A (0.70) TP53ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL14428692 0.80 ALDH1A1 (0.56) TP53ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL14440389 0.79 ALDH1A1 (0.57) TP53ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL647000 0.69 ALDH1A1 (1.00) ALDH1A1KDM4ELMNASMN1; SMN2NPSR1
SCHEMBL12870002 0.67 USP2 (0.70) ALDH1A1LMNASMN1; SMN2NPSR1HTT
SCHEMBL13091058 0.67 ALDH1A1 (0.68) ALDH1A1KDM4ELMNASMN1; SMN2HTT
SCHEMBL3874256 0.66 CYP2C9 (0.57) TP53ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL21843160 0.66 ACP1 (0.70) ALDH1A1KDM4EL3MBTL1
SCHEMBL5474202 0.66 ALDH1A1 (0.71) ALDH1A1KDM4ELMNASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740176-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING ANTI-INFLAMMATORY QUINAZOLINECARBOXAMIDE DERIVATIVES Rimonyx Pharmaceuticals Ltd. (IL) 2007-01-10 — — EP claimed
WO-2005089068-A2 PHARMACEUTICAL COMPOSITIONS COMPRISING ANTI-INFLAMMATORY QUINAZOLINECARBOXAMIDE DERIVATIVES RIMONYX PHARMACEUTICALS LTD. (IL) 2005-09-29 — — WO claimed
US-20070191400-A1 Pharmaceutical compositions comprising anti-inflammatory quinazolinecarboxamide derivatives RIMONYX PHARMACEUTICALS LTD. (IL) 2007-08-16 — — US disclosed
US-20070191400-A1 Pharmaceutical compositions comprising anti-inflammatory quinazolinecarboxamide derivatives RIMONYX PHARMACEUTICALS LTD. (IL) 2007-08-16 — — US disclosed
US-20070191400-A1 Pharmaceutical compositions comprising anti-inflammatory quinazolinecarboxamide derivatives RIMONYX PHARMACEUTICALS LTD. (IL) 2007-08-16 — — 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 (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-20070191400-A1 Pharmaceutical compositions comprising anti-inflammatory quinazolinecarboxamide derivatives HPSE, SSB, HCLS1 TP53 802/4885ALDH1A1 2758/4885KDM4E 4043/4885

“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.

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