SCHEMBL2624005

SCHEMBL2624005

COC(=O)c1c(NC(C)=O)ccc(Br)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
RXFP1 Q9HBX9 4/20 0.49
ALDH1A1 P00352 8/20 0.43
HPGD P15428 2/20 0.43
CISD2 Q8N5K1 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
KDM4E B2RXH2 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HK1 P19367 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 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
SCHEMBL26987300 0.83 POLB (0.43) MAPTALDH1A1HPGDCISD2CA1
SCHEMBL28792118 0.81 CA12 (0.47) ALDH1A1HPGDCA1CA2CA9
SCHEMBL29683902 0.81 CA12 (0.47) ALDH1A1HPGDCA1CA2CA9
SCHEMBL3799307 0.81 ALDH1A1 (0.54) MAPTRXFP1ALDH1A1HPGDCISD2
SCHEMBL1601224 0.79 RXFP1 (0.58) MAPTRXFP1ALDH1A1HPGDCA1
SCHEMBL767484 0.78 MAPT (0.58) MAPTRXFP1ALDH1A1HPGDCISD2
SCHEMBL11137262 0.78 CA12 (0.44) MAPTALDH1A1HPGDCA1CA2
SCHEMBL2322798 0.78 RXFP1 (0.56) MAPTRXFP1ALDH1A1HPGDCA1
SCHEMBL1335275 0.76 CA12 (0.57) MAPTALDH1A1HPGDCA1CA2
SCHEMBL768559 0.75 MAPT (0.51) MAPTRXFP1ALDH1A1HPGDCISD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3660003-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-01-24 EP disclosed
US-11713311-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-08-01 US disclosed
US-20220388995-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-12-08 US disclosed
US-11230541-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-01-25 US disclosed
US-20200231579-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-07-23 US disclosed
EP-3660003-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-06-03 EP disclosed
US-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 US disclosed
US-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 US disclosed
WO-2012054874-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-26 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 (5 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-20120101032-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 MAPT 4634/4885RXFP1 2647/4885ALDH1A1 1322/4885
US-11230541-B2 Heterocyclic compound GRIN1, GRIN2A, GRIN2B MAPT 213/4885RXFP1 4102/4885ALDH1A1 3354/4885
US-20200231579-A1 HETEROCYCLIC COMPOUND GRIN1, GRIN2A, GRIN2B MAPT 213/4885RXFP1 4102/4885ALDH1A1 3354/4885
US-11713311-B2 Heterocyclic compound GRIN1, GRIN2A, GRIN2B MAPT 213/4885RXFP1 4102/4885ALDH1A1 3354/4885
US-20220388995-A1 HETEROCYCLIC COMPOUND GRIN1, GRIN2A, GRIN2B MAPT 213/4885RXFP1 4102/4885ALDH1A1 3354/4885

“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.