SCHEMBL9033002

SCHEMBL9033002

CNN(C)c1cccc(S)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
GFER P55789 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL487064 0.78 ALDH1A1 (0.54) ALDH1A1TSHRLMNAL3MBTL1KDM4E
SCHEMBL8979322 0.77 ACHE (0.46) ALDH1A1CYP3A4LMNANPC1MAPT
SCHEMBL8979210 0.75 HTR3E (0.50) TSHRLMNAL3MBTL1NPC1TP53
SCHEMBL8979321 0.75 ACHE (0.41) ALDH1A1CYP3A4KDM4ENPC1MAPT
SCHEMBL28021366 0.75 ALDH1A1 (0.63) ALDH1A1CYP3A4TSHRLMNAKDM4E
SCHEMBL11638767 0.74 ALDH1A1 (0.61) ALDH1A1CYP3A4TSHRL3MBTL1KDM4E
SCHEMBL677668 0.72 LMNA (0.46) ALDH1A1TSHRLMNAL3MBTL1MAPT
SCHEMBL8979323 0.72 MTNR1A (0.48) ALDH1A1CYP3A4
SCHEMBL8979327 0.72 GAA (0.41) ALDH1A1TP53MAPTRAB9ASMN1; SMN2
SCHEMBL4978628 0.71 ALDH1A1 (0.42) ALDH1A1CYP3A4TSHRL3MBTL1GFER

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-8188097-B2 Pyrazolo[1,5-A]pyrimidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-05-29 US disclosed
WO-2012058203-A1 DIAZENIUMDIOLATE HETEROCYCLIC DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-05-03 WO disclosed
US-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds TANABE SEIYAKU CO., LTD. (JP) 2009-03-12 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-20090069298-A1 Pyrazolo[1,5-A]Pyrimidine Compounds RECQL, QTRT1, DPYD ALDH1A1 467/4885CYP3A4 456/4885TSHR 615/4885

“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.