SCHEMBL334456

SCHEMBL334456

N#CCc1cccc(CN2CCN(c3nc4ccc(Cl)cc4s3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.56
NPC1 O15118 9/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 3/20 0.55
HRH3 Q9Y5N1 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
PPARD Q03181 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
MGLL Q99685 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL10219687 0.96 RAB9A (0.55) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL10219703 0.88 PPARD (0.54) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL10219639 0.87 NPC1 (0.60) RAB9ANPC1KMT2AMEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL335257 0.86 NPC1 (0.59) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL10219600 0.86 NPC1 (0.59) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL10219697 0.86 NPC1 (0.51) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL10219685 0.85 PPARD (0.60) RAB9ANPC1KMT2AMEN1HRH3
SCHEMBL10219709 0.85 NPC1 (0.53) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL10219695 0.84 PPARD (0.53) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL14143793 0.84 RAB9A (0.59) RAB9ANPC1KMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
CN-101296914-A Derivatives with PPAR agonist activity SHIONOGI & CO (JP) 2008-10-29 CN 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-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG RAB9A 1784/4885NPC1 1742/4885KMT2A 1949/4885

“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.