SCHEMBL4814396

SCHEMBL4814396

CCOc1ccccc1CN1CCN(c2nc(-c3ccccc3)nc(SC)c2C#N)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
HTT P42858 2/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 2/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
KDM4E B2RXH2 6/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
USP2 O75604 2/20 0.42
TSHR P16473 2/20 0.42
RECQL P46063 1/20 0.42
TP53 P04637 2/20 0.42
DRD2 P14416 2/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
ALOX15 P16050 1/20 0.41

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
SCHEMBL4747988 0.81 POLB (0.48) POLBHTTRAB9ANPSR1ALDH1A1
SCHEMBL14070105 0.78 LMNA (0.58) POLBHTTRAB9ANPSR1ALDH1A1
SCHEMBL8378165 0.77 POLB (0.51) POLBHTTRAB9ANPSR1ALDH1A1
SCHEMBL4814406 0.76 NPSR1 (0.47) POLBHTTRAB9ANPSR1ALDH1A1
SCHEMBL4745253 0.76 HTT (0.53) POLBHTTRAB9ANPSR1ALDH1A1
SCHEMBL4748855 0.75 NPSR1 (0.54) POLBHTTRAB9ANPSR1ALDH1A1
SCHEMBL4787255 0.75 KDM4E (0.70) POLBHTTRAB9ANPSR1ALDH1A1
SCHEMBL4745163 0.69 ALDH1A1 (0.56) POLBHTTRAB9ANPSR1ALDH1A1
SCHEMBL1143420 0.67 MAPT (0.68) POLBHTTALDH1A1KDM4EMEN1
SCHEMBL4744379 0.66 ALDH1A1 (0.50) POLBHTTRAB9ANPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008110891-A2 NEW HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED, (IN) 2008-09-18 WO claimed
US-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 US claimed
WO-2008110891-A2 NEW HETEROCYCLIC COMPOUNDS ORCHID RESEARCH LABORATORIES LIMITED, (IN) 2008-09-18 WO disclosed
US-20080221103-A1 New heterocyclic compounds ORCHID RESEARCH LABORATORIES LTD. (IN) 2008-09-11 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-20080221103-A1 New heterocyclic compounds LOXL4, CXCR4, LTC4S POLB 1555/4885HTT 4645/4885RAB9A 1528/4885

“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.