SCHEMBL4911112

SCHEMBL4911112

O=[N+]([O-])c1cc(Cl)cnc1Oc1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
HTT P42858 2/20 0.55
CCR2 P41597 1/20 0.51
ALDH1A1 P00352 3/20 0.49
PIN1 Q13526 3/20 0.48
MAPT P10636 5/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
RAB9A P51151 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
TDP1 Q9NUW8 1/20 0.44
CHUK O15111 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
APEX1 P27695 1/20 0.42

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
SCHEMBL306660 0.87 PIN1 (0.62) LMNAALDH1A1PIN1MAPTKMT2A
SCHEMBL4915024 0.85 CYP2C9 (0.47) LMNAHTTCCR2PIN1CHUK
SCHEMBL7368692 0.83 ALDH1A1 (0.61) LMNAHTTALDH1A1PIN1MAPT
SCHEMBL4903025 0.82 MAPT (0.53) LMNAALDH1A1PIN1MAPTKMT2A
SCHEMBL7395609 0.81 PDE7A (0.59) LMNAHTTALDH1A1MAPTKMT2A
SCHEMBL4910462 0.80 ALDH1A1 (0.55) HTTCCR2ALDH1A1PIN1MAPT
SCHEMBL307928 0.80 LMNA (0.50) LMNAHTTALDH1A1PIN1MAPT
SCHEMBL10499411 0.80 MAPK1 (0.62) LMNAALDH1A1PIN1MAPTKMT2A
SCHEMBL20374610 0.79 MGMT (0.54) LMNAHTTALDH1A1PIN1MAPT
SCHEMBL4912851 0.79 CCR2 (0.54) LMNAHTTCCR2ALDH1A1PIN1

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-20080293720-A1 Pyridinyl Sulfonamide Modulators of Chemokine Receptors GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
US-20080293720-A1 Pyridinyl Sulfonamide Modulators of Chemokine Receptors GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
US-20080293720-A1 Pyridinyl Sulfonamide Modulators of Chemokine Receptors GLAXO GROUP LIMITED (GB) 2008-11-27 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-20080293720-A1 Pyridinyl Sulfonamide Modulators of Chemokine Receptors CCR2, CCR1, CCRL2 LMNA 4659/4885HTT 4816/4885CCR2 1/4885

“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.