SCHEMBL17829640

SCHEMBL17829640

O=Cc1cn(Cc2ccccc2)c2c(Cl)cccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.52
SMN1; SMN2 Q16637 9/20 0.52
HTT P42858 6/20 0.52
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
LMNA P02545 5/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 4/20 0.47
CYP1A2 P05177 1/20 0.44
HSP90AA1 P07900 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.41
PTGS2 P35354 1/20 0.40
SNCA P37840 1/20 0.40
NPC1 O15118 1/20 0.40

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
SCHEMBL17829698 0.90 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HTTKMT2AMEN1
SCHEMBL17829730 0.89 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HTTKMT2AMEN1
SCHEMBL17829706 0.89 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2HTTKMT2AMEN1
SCHEMBL17829727 0.88 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2HTTKMT2AMEN1
SCHEMBL17829675 0.84 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2HTTKMT2AMEN1
SCHEMBL2599729 0.79 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2HTTKMT2AMEN1
SCHEMBL29377589 0.78 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2HTTKMT2AMEN1
SCHEMBL1418988 0.78 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2HTTKMT2AMEN1
SCHEMBL1757793 0.77 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2HTTKMT2AMEN1
SCHEMBL17829724 0.77 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2HTTKMT2AMEN1

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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
US-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS (US) 2016-06-16 US disclosed
WO-2016094730-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS SYNERECA PHARMACEUTICALS, INC. (US) 2016-06-16 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-20160168140-A1 HETEROCYCLIC COMPOUNDS AS ANTIBIOTIC POTENTIATORS FOS, FOSB, YAP1 ALDH1A1 4840/4885SMN1; SMN2 4192/4885HTT 4051/4885

“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.