SCHEMBL1505508

SCHEMBL1505508

Cc1c(I)cnc(Cl)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
PIK3C3 Q8NEB9 2/20 0.40
KMT2A Q03164 4/20 0.36
KDM4E B2RXH2 2/20 0.36
NAPRT Q6XQN6 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
DHODH Q02127 5/20 0.32
LMNA P02545 2/20 0.32
PDE10A Q9Y233 1/20 0.32
MEN1 O00255 2/20 0.31
GPR35 Q9HC97 1/20 0.31
HSD17B10 Q99714 1/20 0.31
DPP4 P27487 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
SCHEMBL19028056 0.81 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1MAPK1PIK3C3KMT2A
SCHEMBL30562670 0.81 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1MAPK1PIK3C3KMT2A
SCHEMBL27784703 0.81 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1MAPK1PIK3C3KMT2A
SCHEMBL845583 0.81 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1MAPK1PIK3C3KMT2A
SCHEMBL23776735 0.78 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1MAPK1PIK3C3KDM4E
SCHEMBL27344761 0.78 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MAPK1PIK3C3KMT2A
SCHEMBL31459178 0.78 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1MAPK1PIK3C3KMT2A
SCHEMBL3450931 0.78 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1MAPK1PIK3C3KMT2A
SCHEMBL29118334 0.76 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1MAPK1KDM4ENAPRT
SCHEMBL17675169 0.76 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1MAPK1KMT2AKDM4E

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-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 US disclosed
WO-2011024004-A1 HETEROCYCLIC UREA DERIVATIVES USEFUL FOR TREATMENT OF BACTERIAL INFECTION ASTRAZENECA AB (SE) 2011-03-03 WO disclosed
EP-2262801-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 AstraZeneca AB (SE) 2010-12-22 EP disclosed
WO-2009106885-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2009-09-03 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 (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-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 UROD, UMPS, SLC14A1 SMN1; SMN2 2886/4885ALDH1A1 1208/4885MAPK1 2843/4885

“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.