SCHEMBL17829679

SCHEMBL17829679

O=Cc1cn(Cc2ccccc2)c2cc(Cl)ccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.57
SMN1; SMN2 Q16637 8/20 0.57
HTT P42858 6/20 0.57
LMNA P02545 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
KMT2A Q03164 4/20 0.52
MAPT P10636 3/20 0.52
MEN1 O00255 3/20 0.52
NPSR1 Q6W5P4 2/20 0.49
ALOX12 P18054 1/20 0.49
CYP1A2 P05177 1/20 0.49
HSP90AA1 P07900 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ATM Q13315 1/20 0.49
KCNA3 P22001 4/20 0.47
NR4A1 P22736 1/20 0.47
CNR1 P21554 1/20 0.47

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
SCHEMBL28478660 0.92 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL17829696 0.89 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL28238248 0.88 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL28238255 0.87 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL14222891 0.87 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL16596364 0.86 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL25322976 0.86 KCNA3 (0.47) ALDH1A1SMN1; SMN2HTTKMT2AMAPT
SCHEMBL28522604 0.86 KCNA3 (0.47) ALDH1A1SMN1; SMN2HTTKMT2AMAPT
SCHEMBL14222260 0.85 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2HTTLMNATDP1
SCHEMBL1082596 0.84 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2HTTLMNATDP1

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.