SCHEMBL306570

SCHEMBL306570

COc1ccc(-c2cccc(Cl)c2)cc1Cn1cncn1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.48
STS P08842 3/20 0.48
PDE4B Q07343 2/20 0.46
NLRP3 Q96P20 2/20 0.46
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL2401854 0.79 CYP19A1 (0.71) CYP19A1STSMAPT
SCHEMBL305817 0.79 CYP19A1 (0.75) CYP19A1STS
SCHEMBL306767 0.77 CYP19A1 (0.76) CYP19A1STSPDE4B
SCHEMBL16044983 0.77 CYP19A1 (0.49) CYP19A1STSPDE4B
SCHEMBL24278182 0.75 LMNA (0.42) CYP19A1MAPK1TDP1MAPTSMN1; SMN2
SCHEMBL28206691 0.75 CYP19A1 (0.53) CYP19A1MAPK1TDP1MAPTTSHR
SCHEMBL16044173 0.73 CYP19A1 (0.58) CYP19A1STSPDE4B
SCHEMBL25343573 0.73 ALDH1A1 (0.60) CYP19A1MAPK1TDP1TSHR
SCHEMBL16046728 0.72 PDE4B (0.49) CYP19A1PDE4BTSHRPDE4D
SCHEMBL305954 0.70 CYP19A1 (0.61) CYP19A1STSMAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093279-B2 Compound STERIX LIMITED (GB) 2012-01-10 US disclosed
US-20100173963-A1 COMPOUND STERIX LIMITED (GB) 2010-07-08 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-20100173963-A1 COMPOUND CBR3, CBR1, OXSR1 CYP19A1 605/4885STS 1844/4885PDE4B 2553/4885

“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.