SCHEMBL5452055

SCHEMBL5452055

CCCCCn1c(SCc2ccncc2)nc2cc(C(=O)N3CCN(C(=O)OCC)CC3)ccc2c1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.63
▸ CYP3A4 P08684 2/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ CYP2C19 P33261 2/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.59
▸ TSHR P16473 2/20 0.54
▸ USP2 O75604 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ MAPT P10636 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.47
▸ HSD17B10 Q99714 4/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ SMYD3 Q9H7B4 1/20 0.45

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
SCHEMBL14428685 0.79 ALDH1A1 (0.55) ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL3873785 0.67 CYP2C9 (0.63) ALDH1A1CYP3A4CYP2C9CYP2C19KDM4E
SCHEMBL20768992 0.65 SMYD3 (0.84) SMYD3
SCHEMBL18705888 0.64 SMYD3 (0.78) KMT2ASMYD3
SCHEMBL18706475 0.63 SMYD3 (0.70) HSD17B10CASP1SMYD3
SCHEMBL15445064 0.63 NPSR1 (0.67) ALDH1A1CYP2C19KDM4ENPSR1KMT2A
SCHEMBL18705707 0.62 SMYD3 (0.75) SMYD3
SCHEMBL18706036 0.62 SMYD3 (1.00) ALDH1A1MAPK1KMT2AMEN1MAPT
SCHEMBL18706397 0.62 SMYD3 (1.00) ALDH1A1MAPK1SMN1; SMN2KMT2AMEN1
SCHEMBL18705953 0.61 SMYD3 (0.73) SMYD3

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 ALDH1A1 2758/4885CYP3A4 1778/4885CYP2C9 1557/4885

“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