SCHEMBL5458027

SCHEMBL5458027

O=C(CSc1nc2cc(C(=O)NCCCN3CCOCC3)ccc2c(=O)n1CC1CCCO1)c1ccc(F)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 2/20 0.74
▸ ALDH1A1 P00352 8/20 0.61
▸ KDM4E B2RXH2 3/20 0.61
▸ LMNA P02545 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ ATM Q13315 2/20 0.54
▸ TSHR P16473 4/20 0.51
▸ HPGD P15428 4/20 0.51
▸ RECQL P46063 2/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ NPSR1 Q6W5P4 3/20 0.51
▸ GAA P10253 2/20 0.51
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ KMT2A Q03164 4/20 0.49
▸ MEN1 O00255 3/20 0.49
▸ MAPT P10636 2/20 0.49
▸ ESR1 P03372 1/20 0.49
▸ RAB9A P51151 1/20 0.49

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
SCHEMBL5152197 0.89 TP53 (0.65) TP53ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL14428687 0.85 KMT2A (0.70) TP53ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL14428692 0.84 ALDH1A1 (0.56) TP53ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL14440389 0.83 ALDH1A1 (0.57) TP53ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL5175155 0.82 ATM (0.58) TP53ALDH1A1KDM4ESMN1; SMN2ATM
SCHEMBL5174830 0.73 HTR3A (0.52) ALDH1A1LMNASMN1; SMN2TSHRRECQL
SCHEMBL5175280 0.73 ALDH1A1 (0.62) TP53ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL5173004 0.73 KMT2A (0.57) TP53ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL25010275 0.69 NAMPT (0.66) TSHRKMT2AMEN1
SCHEMBL2217529 0.68 KMT2A (0.86) TP53ALDH1A1SMN1; SMN2ATMGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.

Send feedback