SCHEMBL8771334

SCHEMBL8771334

CC(C)(C)Cc1ccc2nnsc2c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 11/20 0.40
ESR1 P03372 1/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
BAZ1A Q9NRL2 2/20 0.35
NSD2 O96028 1/20 0.35
EHMT2 Q96KQ7 1/20 0.34
SUV39H2 Q9H5I1 1/20 0.34
EHMT1 Q9H9B1 1/20 0.34

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
SCHEMBL11955066 0.86 ALDH1A1 (0.44) ESR1ALDH1A1NPC1POLBMAPT
SCHEMBL764255 0.80 NPC1 (0.50) PRMT3ALDH1A1NPC1POLBMAPT
SCHEMBL29567889 0.77 PRMT3 (0.45) PRMT3ALDH1A1NPC1POLBMAPT
SCHEMBL507524 0.77 PRMT3 (0.45) PRMT3ALDH1A1NPC1POLBMAPT
SCHEMBL7576448 0.74 MAPT (0.46) ALDH1A1NPC1POLBMAPTRAB9A
SCHEMBL20354335 0.72 NPC1 (0.44) ESR1ALDH1A1NPC1POLBRAB9A
SCHEMBL26199747 0.72
SCHEMBL24297656 0.71 SMN1; SMN2 (0.57) ALDH1A1NPC1MAPTRAB9A
SCHEMBL22313924 0.70 RAB9A (0.44) ESR1NPC1MAPTRAB9A
SCHEMBL1292012 0.70 SMN1; SMN2 (0.46) ALDH1A1NPC1POLBMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252935-B2 Piperidinyl and piperazinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-28 US disclosed
US-8252935-B2 Piperidinyl and piperazinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-28 US disclosed
US-20120129189-A1 Methods of Controlling Cell Proliferation THE J. DAVID GLADSTONE INSTITUTES 2012-05-24 US disclosed
US-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 US disclosed
US-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 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-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE BACE1, BACE2, PSEN1 PRMT3 53/4885ESR1 514/4885ALDH1A1 3212/4885

“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.