SCHEMBL3225924

SCHEMBL3225924

CCN1CCCC1CNc1cc(-c2ccccc2)nc(Cl)n1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.66
PIM1 P11309 1/20 0.48
PIM2 Q9P1W9 1/20 0.48
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 1/20 0.43
IL1B P01584 1/20 0.43
TSHR P16473 3/20 0.43
SIGMAR1 Q99720 1/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
HSD17B10 Q99714 4/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP3A4 P08684 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL1752811 0.80 ACHE (1.00) ACHEPIM1PIM2POLBSMN1; SMN2
SCHEMBL8833606 0.75 ACHE (0.67) ACHEPIM1PIM2POLBSMN1; SMN2
SCHEMBL13341882 0.74 ACHE (0.50) ACHEPIM1PIM2POLBSMN1; SMN2
SCHEMBL13118498 0.73 ACHE (0.61) ACHEPIM1PIM2POLBSMN1; SMN2
SCHEMBL3236269 0.73 ACHE (0.48) ACHEPIM1PIM2POLBSMN1; SMN2
SCHEMBL22655089 0.72 ACHE (0.67) ACHEPIM1PIM2SMN1; SMN2RAB9A
SCHEMBL22655091 0.72 ACHE (0.67) ACHEPIM1PIM2SMN1; SMN2RAB9A
SCHEMBL1752869 0.70 ACHE (0.60) ACHEPIM1PIM2POLBSMN1; SMN2
SCHEMBL3227322 0.70 HRH4 (0.47) SMN1; SMN2ALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL3233802 0.70 TLR8 (0.71) SMN1; SMN2RAB9ATSHRALDH1A1KDM4E

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
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
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 WO disclosed
WO-2010028179-A1 HETEROCYCLIC COMPOUNDS AS GATA MODULATORS DR. REDDY'S LABORATORIES LTD. (IN) 2010-03-11 WO 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 ACHE 4556/4885PIM1 544/4885PIM2 875/4885

“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.