SCHEMBL10219367

SCHEMBL10219367

c1ccc(-c2cnc(N3CCNCC3)s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 5/20 0.56
CDK7 P50613 3/20 0.56
HDAC2 Q92769 2/20 0.48
HTR1A P08908 6/20 0.47
HTR7 P34969 5/20 0.47
HTR6 P50406 3/20 0.47
HTR2B P41595 2/20 0.47
HTR2A P28223 1/20 0.45
HTR5A P47898 1/20 0.45
HTR3A P46098 2/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
PRKCI P41743 1/20 0.44
AOC3 Q16853 1/20 0.44
HTR2C P28335 1/20 0.43
USP30 Q70CQ3 1/20 0.43

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
SCHEMBL27874787 0.85 USP30 (0.47) USP30
Hydrochloric Acid SCHEMBL6728533 0.85 AOC3 (0.50) CHEK1CDK7PRKCIAOC3
SCHEMBL28801047 0.83 RAB9A (0.51) CHEK1CDK7HDAC2USP30HDAC1
SCHEMBL27891120 0.81 TDP1 (0.53) HDAC2HTR1AHTR2C
SCHEMBL27891106 0.81 AR (0.58) USP30
SCHEMBL1199425 0.79 KDM4E (0.47) CHEK1CDK7HDAC2HTR7HTR2A
SCHEMBL27874789 0.79 MLYCD (0.43) USP30
SCHEMBL927450 0.78 CHRNA7 (0.53) USP30
Hydrochloric Acid SCHEMBL6728806 0.76 CHEK1 (0.47) CHEK1CDK7HDAC2AOC3HDAC1
SCHEMBL27891131 0.76 LCAT (0.50) USP30

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 CHEK1 4612/4885CDK7 2436/4885HDAC2 436/4885

“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.