SCHEMBL2004792

SCHEMBL2004792

O=C(NC(=O)c1ccncc1)c1ccncc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.73
KDM4E B2RXH2 2/20 0.67
MPO P05164 1/20 0.67
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
ADORA3 P0DMS8 1/20 0.67
CYP2D6 P10635 1/20 0.67
CYP2A6 P11509 1/20 0.67
CYP2C19 P33261 1/20 0.67
GAA P10253 1/20 0.64
TP53 P04637 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.58
HTT P42858 1/20 0.57
NAPRT Q6XQN6 1/20 0.56
CA1 P00915 1/20 0.55
CA9 Q16790 1/20 0.55
TSHR P16473 1/20 0.55
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
PTGS2 P35354 1/20 0.55

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
SCHEMBL1694694 0.88 ALDH1A1 (0.64) ALDH1A1KDM4EMPOCYP1A2CYP3A4
SCHEMBL9591675 0.86 KDM4E (0.63) ALDH1A1KDM4EMPOCYP1A2CYP3A4
SCHEMBL18736598 0.86 ALDH1A1 (0.61) ALDH1A1KDM4EMPOCYP1A2CYP3A4
SCHEMBL19689020 0.86 TP53 (0.68) ALDH1A1KDM4EMPOCYP1A2CYP3A4
SCHEMBL112540 0.85 ALDH1A1 (0.67) ALDH1A1KDM4EMPOCYP1A2CYP3A4
SCHEMBL16642162 0.85 ALDH1A1 (0.67) ALDH1A1KDM4EMPOCYP1A2CYP3A4
SCHEMBL16896997 0.84 ALDH1A1 (0.59) ALDH1A1KDM4EMPOCYP1A2CYP3A4
SCHEMBL2992964 0.84 ALDH1A1 (1.00) ALDH1A1KDM4EMPOCYP1A2CYP3A4
Isoniazid SCHEMBL28090501 0.83 KDM4E (0.95) ALDH1A1KDM4EMPOCYP1A2CYP3A4
SCHEMBL6614688 0.83 KDM4E (0.70) ALDH1A1KDM4EMPOCYP1A2CYP3A4

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-7964613-B2 (S)-3-amino-1-(4-bromo-5-isoquinolinesulfonyl)pyrrolidine; inhibits phosphorylation of myosin regulatory light chain; for spinal canal stenosis, spinal cord injury, rheumatoid arthritis, multiple sclerosis; Rho kinase inhibitors ASAHI KASEI PHARMA CORPORATION (JP) 2011-06-21 US disclosed
EP-2130828-A1 SULFONAMIDE DERIVATIVE Asahi Kasei Pharma Corporation (JP) 2009-12-09 EP disclosed
US-20090048223-A1 Sulfonamide compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-19 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-20090048223-A1 Sulfonamide compound ALK, AKT1, ARAF ALDH1A1 3529/4885KDM4E 1897/4885MPO 3355/4885

“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.