SCHEMBL5590958

SCHEMBL5590958

Clc1cccc(-c2ccc(-c3nc4ccncc4[nH]3)cc2)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.72
KDM4E B2RXH2 4/20 0.72
HPGD P15428 3/20 0.72
PKM P14618 2/20 0.72
RAB9A P51151 2/20 0.72
NPC1 O15118 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
SCD O00767 1/20 0.58
AURKA O14965 1/20 0.56
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
FTO Q9C0B1 1/20 0.54
MAPK13 O15264 2/20 0.52
MAPK12 P53778 2/20 0.52
MAPK11 Q15759 2/20 0.52

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
SCHEMBL9694046 0.84 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDPKMRAB9A
SCHEMBL5591384 0.84 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDPKMRAB9A
SCHEMBL7271736 0.82 KDM4E (0.52) ALDH1A1KDM4EHPGDPKMRAB9A
SCHEMBL3331253 0.81 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDPKMRAB9A
SCHEMBL5591276 0.78 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDPKMRAB9A
SCHEMBL5590969 0.77 ALDH1A1 (0.97) ALDH1A1KDM4EHPGDPKMRAB9A
Hydrochloric Acid SCHEMBL5591487 0.77 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDPKMRAB9A
SCHEMBL26086680 0.76 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDPKMRAB9A
SCHEMBL30104615 0.76 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDPKMRAB9A
SCHEMBL15245183 0.76 KDM4E (0.62) ALDH1A1KDM4EHPGDPKMRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007034277-A1 ARYL SUBSTITUTED IMIDAZO [4,5-C] PYRIDINE COMPOUNDS AS C3A RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2007-03-29 WO claimed
US-10933049-B2 Mobilizing agents and uses therefor THE UNIVERSITY OF QUEENSLAND (AU) 2021-03-02 US disclosed
US-20180185328-A1 MOBILIZING AGENTS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2018-07-05 US disclosed
EP-3302710-A1 MOBILIZING AGENTS AND USES THEREFOR The University of Queensland (AU) 2018-04-11 EP disclosed
WO-2016191811-A1 MOBILIZING AGENTS AND USES THEREFOR THE UNIVERSITY OF QUEENSLAND (AU) 2016-12-08 WO disclosed
WO-2007034277-A1 ARYL SUBSTITUTED IMIDAZO [4,5-C] PYRIDINE COMPOUNDS AS C3A RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2007-03-29 WO 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-20180185328-A1 MOBILIZING AGENTS AND USES THEREFOR C3AR1, CSF3R, C5AR1 ALDH1A1 2492/4885KDM4E 4833/4885HPGD 1396/4885
US-10933049-B2 Mobilizing agents and uses therefor C3AR1, CSF3R, C5AR1 ALDH1A1 2492/4885KDM4E 4833/4885HPGD 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.