SCHEMBL10219641

SCHEMBL10219641

ClCc1cccc(CN2CCCN(c3nc4ccc(Cl)cc4s3)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.59
NPC1 O15118 7/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 3/20 0.55
HRH3 Q9Y5N1 1/20 0.53
POLB P06746 1/20 0.52
HCRTR1 O43613 1/20 0.50
HCRTR2 O43614 1/20 0.50
ACHE P22303 1/20 0.50
CNR2 P34972 2/20 0.48
GALR3 O60755 1/20 0.48
GAA P10253 1/20 0.48
NR2F2 P24468 1/20 0.48
NPSR1 Q6W5P4 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

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
SCHEMBL10219639 0.96 NPC1 (0.60) RAB9ANPC1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL335257 0.95 NPC1 (0.59) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL10219598 0.91 RAB9A (0.58) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL10219687 0.88 RAB9A (0.55) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL10219663 0.88 NPC1 (0.57) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL10220626 0.88 PPARD (0.59) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL10219600 0.86 NPC1 (0.59) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL10219642 0.86 PPARD (0.59) RAB9ANPC1MEN1KMT2AHRH3
SCHEMBL10219660 0.86 NPC1 (0.57) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL14143852 0.84 NPC1 (0.55) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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-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

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 1742/4885SMN1; SMN2 4505/4885

“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.