SCHEMBL983108

SCHEMBL983108

CN1C(=O)CC(c2ccc3sccc3c2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.52
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
SLC6A4 P31645 13/20 0.49
SLC6A3 Q01959 13/20 0.49
SLC6A2 P23975 12/20 0.49
CYP2D6 P10635 3/20 0.49
KCNH2 Q12809 1/20 0.41
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40

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
SCHEMBL17583744 0.77 KMT2A (0.66) CYP19A1TSHRKMT2ASLC6A4SLC6A3
SCHEMBL982063 0.76 ALDH1A1 (0.44) TSHRKMT2ASLC6A4SLC6A3SLC6A2
SCHEMBL8267772 0.76 SLC6A4 (0.40) SLC6A4SLC6A3SLC6A2CYP2D6KCNH2
SCHEMBL13698283 0.73 CYP19A1 (0.54) CYP19A1TSHRKMT2ASLC6A4SLC6A3
SCHEMBL983389 0.72 CYP19A1 (0.52) CYP19A1TSHRKMT2ASLC6A4SLC6A3
SCHEMBL13698259 0.72 CYP19A1 (0.59) CYP19A1TSHRKMT2ASLC6A4SLC6A3
SCHEMBL13698263 0.70 CYP19A1 (0.50) CYP19A1TSHRKMT2ABRD4
SCHEMBL13698264 0.70 CYP19A1 (0.56) CYP19A1TSHRKMT2ASLC6A4SLC6A3
SCHEMBL13698277 0.70 CYP19A1 (0.56) CYP19A1TSHRKMT2ASLC6A4SLC6A3
Phensuximide SCHEMBL35334 0.69 KMT2A (1.00) CYP19A1TSHRKMT2ABRD4

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
EP-2257545-B1 PYRROLIDINYL DERIVATIVES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
US-20110021556-A1 PYRROLIDINYL DERIVATIVES AND USES THEREOF HOFFMAN-LA ROCHE, INC. (US) 2011-01-27 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-20110021556-A1 PYRROLIDINYL DERIVATIVES AND USES THEREOF SLC6A3, MAOB, TPH2 CYP19A1 472/4885TSHR 1389/4885KMT2A 2106/4885

“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.