SCHEMBL4876958

SCHEMBL4876958

O=C1NC2(CCN(C(=S)Nc3ccc(Cl)cc3)CC2)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 5/20 0.49
NPY5R Q15761 1/20 0.48
CYP2C19 P33261 1/20 0.47
HRH3 Q9Y5N1 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
HTT P42858 1/20 0.42
AKR1B1 P15121 1/20 0.42
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.40
GLA P06280 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
F11 P03951 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL4876953 1.00 SMN1; SMN2 (0.50) SMN1; SMN2LMNANPY5RCYP2C19HRH3
SCHEMBL4885388 0.79 NPY5R (0.58) SMN1; SMN2LMNANPY5RCYP2C19
SCHEMBL4882812 0.75 HRH3 (0.48) SMN1; SMN2NPY5RCYP2C19HRH3HTT
SCHEMBL8260249 0.75 HRH3 (0.48) SMN1; SMN2NPY5RCYP2C19HRH3HTT
SCHEMBL4882807 0.75 HRH3 (0.48) SMN1; SMN2NPY5RCYP2C19HRH3HTT
SCHEMBL4590999 0.75 NPY5R (0.60) NPY5RCYP2C19HRH3ALDH1A1POLB
SCHEMBL4365551 0.74 NPY5R (0.58) NPY5RHRH3TNKSTNKS2ALDH1A1
SCHEMBL4365548 0.74 NPY5R (0.58) NPY5RHRH3TNKSTNKS2ALDH1A1
SCHEMBL21138104 0.74 IDO1 (0.60) SMN1; SMN2NPY5RHRH3TNKSTNKS2
SCHEMBL4883090 0.72 IDO1 (0.64) SMN1; SMN2LMNACYP2C19NPSR1HTT

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-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 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-20080234252-A1 Compounds Useful in Therapy AVPR1A, AVPR1B, AVPR2 SMN1; SMN2 2757/4885LMNA 1476/4885NPY5R 193/4885

“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.