SCHEMBL3589207

SCHEMBL3589207

CC1Oc2cccc([NH])c2NC1=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 5/20 0.56
TSHR P16473 3/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BRD4 O60885 2/20 0.34
CREBBP Q92793 2/20 0.34
PDE3B Q13370 3/20 0.34
PDE3A Q14432 3/20 0.34
HTT P42858 1/20 0.32
SMYD3 Q9H7B4 2/20 0.32
CECR2 Q9BXF3 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL3642063 1.00 PARP1 (0.56) PARP1TSHRTP53SMN1; SMN2BRD4
SCHEMBL3637630 1.00 PARP1 (0.56) PARP1TSHRTP53SMN1; SMN2BRD4
SCHEMBL5671423 0.81 PARP1 (0.57) PARP1TSHRTP53SMN1; SMN2BRD4
SCHEMBL16823814 0.80 PARP1 (0.56) PARP1TSHRTP53SMN1; SMN2BRD4
SCHEMBL20992169 0.80 PARP1 (0.56) PARP1TSHRTP53SMN1; SMN2BRD4
SCHEMBL17050354 0.80 PARP1 (0.56) PARP1TSHRTP53SMN1; SMN2BRD4
SCHEMBL18611861 0.79 PARP1 (0.54) PARP1TSHRTP53SMN1; SMN2BRD4
SCHEMBL19490441 0.78 PARP1 (0.53) PARP1TSHRTP53SMN1; SMN2BRD4
SCHEMBL17031847 0.78 PARP1 (0.53) PARP1TSHRTP53SMN1; SMN2BRD4
SCHEMBL7001533 0.75 PARP1 (0.50) PARP1TSHRSMN1; SMN2MEN1KMT2A

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 PARP1 1468/4885TSHR 1731/4885TP53 3619/4885

“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.