SCHEMBL3495307

SCHEMBL3495307

Cn1c(-c2ccc(-c3nc(CCl)co3)cc2)nc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.53
KDM4E B2RXH2 8/20 0.53
RAB9A P51151 6/20 0.53
PKM P14618 5/20 0.53
NPC1 O15118 5/20 0.53
TP53 P04637 5/20 0.53
HSD17B10 Q99714 4/20 0.53
GAA P10253 2/20 0.53
ALOX15 P16050 2/20 0.53
SMN1; SMN2 Q16637 5/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
HPGD P15428 4/20 0.51
MAPT P10636 3/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
GFER P55789 1/20 0.51
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL3498632 0.85 ALDH1A1 (0.55) ALDH1A1KDM4ERAB9APKMNPC1
SCHEMBL3497458 0.82 ALDH1A1 (0.54) ALDH1A1KDM4ERAB9APKMNPC1
SCHEMBL3497742 0.82 ALDH1A1 (0.52) ALDH1A1KDM4ERAB9APKMNPC1
SCHEMBL3498561 0.82 ALDH1A1 (0.55) ALDH1A1KDM4ERAB9APKMNPC1
SCHEMBL13164980 0.81 ALDH1A1 (0.46) ALDH1A1KDM4ERAB9APKMNPC1
Fumaric Acid SCHEMBL3499156 0.79 ALDH1A1 (0.47) ALDH1A1KDM4ERAB9APKMNPC1
Fumaric Acid SCHEMBL3499161 0.79 ALDH1A1 (0.47) ALDH1A1KDM4ERAB9APKMNPC1
SCHEMBL20982597 0.78 ALDH1A1 (0.83) ALDH1A1KDM4ERAB9APKMNPC1
SCHEMBL3497016 0.77 HTT (0.49) ALDH1A1KDM4ERAB9ASMN1; SMN2KMT2A
SCHEMBL203359 0.75 HDAC1 (0.46) DRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
US-7803825-B2 Aminoalkylazole derivatives as histamine-3 antagonists WYETH LLC (US) 2010-09-28 US disclosed
EP-2170875-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-04-07 EP disclosed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO disclosed
WO-2009012252-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 WO disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 US disclosed
US-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-01-22 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-20090023707-A1 AMINOALKYLAZOLE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 ALDH1A1 1047/4885KDM4E 2778/4885RAB9A 1396/4885

“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.