SCHEMBL3492571

SCHEMBL3492571

[C-]#[N+]/C(C(=O)OCC)=C(\Br)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP19A1 P11511 2/20 0.40
GLA P06280 1/20 0.40
TSHR P16473 2/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3492575 1.00 ALDH1A1 (0.49) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL9002769 0.84 ALDH1A1 (0.51) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4294768 0.84 LMNA (0.47) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL4294764 0.84 LMNA (0.47) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL3493650 0.83 TSHR (0.44) MAPTKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL3493043 0.83 TSHR (0.44) MAPTKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL5120430 0.81 TSHR (0.42) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL5125735 0.80 CASP1 (0.42) ALDH1A1KMT2AMEN1LMNAGLA
SCHEMBL5125736 0.80 CASP1 (0.42) ALDH1A1KMT2AMEN1LMNAGLA
SCHEMBL11821119 0.79 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO disclosed
EP-1984355-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION Takeda Pharmaceutical Company Limited (JP) 2008-10-29 EP disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 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 (3 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 ALDH1A1 1062/4885MAPT 4821/4885KMT2A 952/4885
US-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ALDH1A1 388/4885MAPT 3142/4885KMT2A 1049/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ALDH1A1 388/4885MAPT 3142/4885KMT2A 1049/4885

“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.