SCHEMBL6730261

SCHEMBL6730261

O=C(c1ncc(-c2cc[n+]([O-])cc2)cn1)N1CCN(S(=O)(=O)C=Cc2ccc(Cl)cc2O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPR183 P32249 1/20 0.35
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PAK4 O96013 1/20 0.33
ALOX15 P16050 1/20 0.33
LMNA P02545 2/20 0.32
YAP1 P46937 1/20 0.32
TEAD4 Q15561 1/20 0.32
F10 P00742 2/20 0.32
MAPT P10636 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL6730258 1.00 ALDH1A1 (0.36) ALDH1A1KMT2AKDM4EMEN1NPSR1
SCHEMBL6734565 0.88 ALDH1A1 (0.38) ALDH1A1KMT2AKDM4EMEN1NPSR1
SCHEMBL6734568 0.88 ALDH1A1 (0.38) ALDH1A1KMT2AKDM4EMEN1NPSR1
Hydrochloric Acid SCHEMBL6729512 0.88 ALDH1A1 (0.46) ALDH1A1KMT2AKDM4EMEN1NPSR1
Hydrochloric Acid SCHEMBL6729515 0.88 ALDH1A1 (0.46) ALDH1A1KMT2AKDM4EMEN1NPSR1
SCHEMBL6734093 0.77 F10 (0.49) ALDH1A1SMN1; SMN2LMNAF10
SCHEMBL6734952 0.77 ALDH1A1 (0.44) ALDH1A1KMT2AKDM4EMEN1NPSR1
SCHEMBL6734948 0.77 ALDH1A1 (0.44) ALDH1A1KMT2AKDM4EMEN1NPSR1
SCHEMBL6728346 0.77 HRH4 (0.45) ALDH1A1KMT2AMEN1NPSR1HTT
SCHEMBL6725451 0.76 F10 (0.36) KMT2AMEN1L3MBTL1LMNAF10

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-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP 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-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 ALDH1A1 1316/4885KMT2A 923/4885KDM4E 3346/4885

“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.