SCHEMBL5855895

SCHEMBL5855895

O=C(NCCc1ccc(Br)cc1[N+](=O)[O-])C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MTNR1A P48039 3/20 0.40
MTNR1B P49286 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
GSTO1 P78417 1/20 0.40
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL5874016 0.81 ALDH1A1 (0.50) ALDH1A1GLAHPGDALOX12SMN1; SMN2
SCHEMBL7639992 0.80 MTNR1A (0.45) ALDH1A1HPGDSMN1; SMN2MTNR1AMTNR1B
SCHEMBL29607715 0.80 MTNR1A (0.45) ALDH1A1HPGDSMN1; SMN2MTNR1AMTNR1B
SCHEMBL23022213 0.80 MTNR1A (0.43) ALDH1A1SMN1; SMN2MTNR1AMTNR1B
SCHEMBL30139260 0.80 KMT2A (0.46) ALDH1A1HPGDSMN1; SMN2MTNR1AMTNR1B
SCHEMBL24826413 0.80 KMT2A (0.46) ALDH1A1HPGDSMN1; SMN2MTNR1AMTNR1B
SCHEMBL27515486 0.78 MTNR1A (0.42) ALDH1A1SMN1; SMN2MTNR1AMTNR1B
SCHEMBL100897 0.78 SMN1; SMN2 (0.45) ALDH1A1GLAHPGDALOX12SMN1; SMN2
SCHEMBL10866369 0.76 GPR35 (0.46) ALDH1A1GLAHPGDALOX12SMN1; SMN2
SCHEMBL12350643 0.75 MAPK1 (0.53) ALDH1A1GLARAB9ANPC1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060111446-A1 5-Amidino-N-(2-aminophenethyl)-2-hydroxybenzenesulfonamide derivative, medicinal composition containing the same, pharmaceutical use thereof, and intermediate therefor KISSEI PHARMACEUTICAL CO., LTD. 2006-05-25 US disclosed
US-7022689-B2 5-amidino-n-(2-aminophenethyl)-n-hydroxy-benzenesulffonamide derivative, medical composition containing the same, pharmaceutical use thereof and intermediate therefor KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-04-04 US disclosed
US-20040242455-A1 5-amidino-n-(2-aminophenethyl)-n-hydroxy-benzenesulffonamide derivative, medical composition containing the same, pharmaceutical use thereof and intermediate therefor KISSEI PAHRMACEUTICAL CO., LTD. (JP) 2004-12-02 US disclosed
EP-1415983-A1 5-AMIDINO-N-(2-AMINOPHENETHYL)-HYDROXYBENZENESULFONAMIDE DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND INTERMEDIATE THEREFOR Kissei Pharmaceutical Co., Ltd. (JP) 2004-05-06 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 (2 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-20040242455-A1 5-amidino-n-(2-aminophenethyl)-n-hydroxy-benzenesulffonamide derivative, medical composition containing the same, pharmaceutical use thereof and intermediate therefor F11, F2, F7 ALDH1A1 3590/4885GLA 904/4885HPGD 265/4885
US-20060111446-A1 5-Amidino-N-(2-aminophenethyl)-2-hydroxybenzenesulfonamide derivative, medicinal composition containing the same, pharmaceutical use thereof, and intermediate therefor F11, F5, F2 ALDH1A1 2957/4885GLA 884/4885HPGD 432/4885

“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.