SCHEMBL3423332

SCHEMBL3423332

COC(=O)C1(c2ccc(Nc3cc(-c4c(C)noc4C)nc(-c4ccc(F)cc4)n3)cc2)CCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.48
CYP2C19 P33261 5/20 0.48
CYP3A4 P08684 3/20 0.48
LMNA P02545 4/20 0.46
CLK4 Q9HAZ1 3/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
BRD4 O60885 3/20 0.40
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP2 O75604 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
ALOX15 P16050 1/20 0.38
APEX1 P27695 1/20 0.38
TP53 P04637 1/20 0.38
CYP2D6 P10635 1/20 0.38
HIF1A Q16665 1/20 0.38
ADORA3 P0DMS8 2/20 0.37

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
SCHEMBL3232544 0.92 CYP1A2 (0.49) CYP1A2CYP2C19CYP3A4LMNACLK4
SCHEMBL3228757 0.88 CYP1A2 (0.42) CYP1A2CYP2C19CYP3A4LMNACLK4
SCHEMBL3233920 0.87 CYP2C19 (0.42) CYP1A2CYP2C19CYP3A4LMNACLK4
SCHEMBL3238429 0.83 MAPT (0.47) CYP2C19LMNANPSR1MEN1ALDH1A1
SCHEMBL3229370 0.80 CYP1A2 (0.44) CYP1A2CYP2C19CYP3A4LMNACLK4
SCHEMBL3415491 0.79 CYP1A2 (0.36) CYP1A2CYP2C19CYP3A4LMNACLK4
SCHEMBL3234476 0.78 CYP1A2 (0.40) CYP1A2CYP2C19CYP3A4CLK4HSD17B10
SCHEMBL13456960 0.78 FPR2 (0.36) CYP1A2CYP2C19CYP3A4USP2MEN1
SCHEMBL3232904 0.75 SLC2A1 (0.36) CYP1A2LMNATSHRBRD4NPSR1
SCHEMBL3228961 0.74 MAPT (0.47) LMNATP53MAPTSMN1; SMN2ABL1

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
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 US disclosed
US-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-06-10 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-20100144722-A1 NOVEL HETEROCYCLIC COMPOUNDS AS GATA MODULATORS GATAD2B, GATAD2A, RUNX1 CYP1A2 558/4885CYP2C19 289/4885CYP3A4 452/4885

“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.