SCHEMBL3003306

SCHEMBL3003306

CC(c1ccc(F)cc1)N1CCc2c(Br)cccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.41
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
LMNA P02545 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
PARP10 Q53GL7 1/20 0.37
PARP11 Q9NR21 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ACACB O00763 2/20 0.36

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
SCHEMBL2995949 0.83 HSD11B1 (0.40) HSD11B1POLBRECQLLMNASMN1; SMN2
SCHEMBL27883760 0.82 HSD11B1 (0.40) HSD11B1POLBRECQLLMNASMN1; SMN2
SCHEMBL5811349 0.81 PARP10 (0.44) PARP10PARP11ACACBIDH1
Hydrochloric Acid SCHEMBL27901015 0.81 HSD11B1 (0.39) HSD11B1POLBRECQLLMNASMN1; SMN2
SCHEMBL5811735 0.78 PARP10 (0.41) POLBRECQLHTTPARP10PARP11
SCHEMBL3000769 0.75 DHPS (0.41) POLBRECQLHTTPARP10PARP11
SCHEMBL14870541 0.70 PSEN1 (0.47) HSD11B1PSEN1PSEN2APH1BNCSTN
SCHEMBL5839859 0.70 POLB (0.50) POLBRECQLLMNASMN1; SMN2HTT
SCHEMBL29777577 0.70 POLB (0.50) POLBRECQLLMNASMN1; SMN2HTT
SCHEMBL5840128 0.70 HTT (0.56) POLBLMNASMN1; SMN2L3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372864-B2 1-oxo-isoindoline-4-carboxamide and 1-oxo-1,2,3,4-tetrahydroisoquinoline-5-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2013-02-12 US disclosed
US-20100197725-A1 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 US disclosed
EP-2185511-A2 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-05-19 EP disclosed
WO-2009044019-A2 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-09 WO 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-20100197725-A1 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF COX4I1, CNR2, CNR1 HSD11B1 3968/4885POLB 2913/4885RECQL 2573/4885

“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.