SCHEMBL4447133

SCHEMBL4447133

Cc1c(-c2cc(CCCO)nc(S(C)(=O)=O)n2)cccc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SDHB P21912 7/20 0.40
HPGD P15428 4/20 0.35
HTT P42858 4/20 0.35
NPSR1 Q6W5P4 4/20 0.35
LMNA P02545 3/20 0.35
STAT3 P40763 3/20 0.35
KDM4E B2RXH2 3/20 0.35
MITF O75030 1/20 0.35
BPTF Q12830 2/20 0.34
CHRNA7 P36544 1/20 0.33
KMT2A Q03164 3/20 0.32
TP53 P04637 3/20 0.32
RAB9A P51151 3/20 0.32
HSD17B10 Q99714 3/20 0.32
S1PR4 O95977 2/20 0.32
S1PR1 P21453 2/20 0.32
MAPK1 P28482 2/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
STAT1 P42224 1/20 0.32

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
SCHEMBL4442123 0.80 TLR8 (0.34) CHRNA7KMT2AMAPK1CTSKKCNH2
SCHEMBL13707277 0.77 CTSK (0.49) SDHBHPGDHTTNPSR1LMNA
SCHEMBL4447130 0.74 SDHB (0.42) SDHBHPGDHTTNPSR1LMNA
SCHEMBL4442552 0.74 SDHB (0.34) SDHBHPGDHTTNPSR1LMNA
SCHEMBL5749218 0.73 HTR1B (0.39) SDHBHPGDHTTNPSR1LMNA
SCHEMBL4442546 0.72 CTSK (0.62) SDHBHPGDHTTNPSR1LMNA
SCHEMBL4444259 0.72 CTSK (0.42) SDHBHPGDHTTNPSR1LMNA
SCHEMBL27662827 0.68 SDHB (0.51) SDHBHPGDHTTNPSR1LMNA
SCHEMBL5795123 0.65 TLR8 (0.55) LMNAKDM4ETP53MAPK1CTSK
SCHEMBL5547151 0.64 CTSK (0.55) CTSKKCNH2

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-7589095-B2 4-phenyl-pyrimidine-2-carbonitrile derivatives N.V. ORGANON (NL) 2009-09-15 US disclosed
EP-1758870-B1 4-PHENYL-PYRIMIDINE-2-CARBONITRILE DERIVATIVES ORGANON NV (NL) 2008-08-13 EP disclosed
US-20080090813-A1 4-Phenyl-Pyrimidine-2-Carbonitrile Derivatives Cai, Jiaqiang 2008-04-17 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-20080090813-A1 4-Phenyl-Pyrimidine-2-Carbonitrile Derivatives P2RY4, P2RX4, P2RY1 SDHB 3344/4885HPGD 576/4885HTT 3019/4885

“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.