SCHEMBL19981234

SCHEMBL19981234

CC(Br)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 2/20 0.52
CASP3 P42574 1/20 0.48
ALDH1A1 P00352 4/20 0.46
HTT P42858 2/20 0.46
TP53 P04637 2/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL56405 1.00 TDP1 (0.53) TDP1LMNACASP3ALDH1A1HTT
SCHEMBL1892274 0.84 TDP1 (0.55) TDP1LMNACASP3ALDH1A1HTT
SCHEMBL17916019 0.83 TDP1 (0.50) TDP1LMNACASP3ALDH1A1HTT
SCHEMBL6656473 0.81 TDP1 (0.57) TDP1LMNACASP3ALDH1A1HTT
SCHEMBL29381145 0.81 TDP1 (0.57) TDP1LMNACASP3ALDH1A1HTT
SCHEMBL166122 0.81 TDP1 (0.57) TDP1LMNACASP3ALDH1A1HTT
SCHEMBL2247257 0.81 TDP1 (0.49) TDP1LMNACASP3ALDH1A1HTT
SCHEMBL9237832 0.81 TDP1 (0.49) TDP1LMNACASP3ALDH1A1HTT
SCHEMBL1256984 0.78 TDP1 (0.46) TDP1LMNACASP3ALDH1A1HTT
SCHEMBL4197298 0.77 LMNA (0.56) TDP1LMNACASP3ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2751141-B1 STABLE PEPTIDE-BASED PACE4 INHIBITORS SOCPRA SCIENCES SANTE ET HUMAINES S E C (CA) 2018-03-21 EP disclosed
US-20150148334-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARM INC (US) 2015-05-28 US disclosed
US-8765746-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-20120214794-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
CN-1086214-A Di-and triazinedione MERCK PATENT GMBH (DE) 1994-05-04 CN 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 (2 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-20150148334-A1 HETEROARYLS AND USES THEREOF RICTOR, AKT2, MTOR TDP1 3108/4885LMNA 1127/4885CASP3 516/4885
US-20120214794-A1 HETEROARYLS AND USES THEREOF RICTOR, AKT2, MTOR TDP1 3108/4885LMNA 1127/4885CASP3 516/4885

“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.