SCHEMBL3495152

SCHEMBL3495152

O=C(NCC(F)(F)F)c1ccc(-n2nnc(C(=O)O)c2-c2cccs2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 6/20 0.58
CA1 P00915 5/20 0.58
CA2 P00918 5/20 0.58
CA4 P22748 5/20 0.58
KMT2A Q03164 4/20 0.49
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 3/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 4/20 0.46
HTT P42858 3/20 0.46
HPGD P15428 3/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.42
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 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
SCHEMBL3115255 0.87 CA1 (0.61) CA9CA1CA2CA4KMT2A
SCHEMBL3493204 0.83 ADORA2A (0.40) CA9CA1CA2CA4KMT2A
SCHEMBL3114826 0.75 ROCK1 (0.40) KMT2AMEN1ALDH1A1HTTHPGD
SCHEMBL3109595 0.74 PTGER4 (0.39) CA2ALDH1A1HTTLMNASMN1; SMN2
SCHEMBL3109603 0.74 PTGER4 (0.39) CA2ALDH1A1HTTLMNASMN1; SMN2
SCHEMBL3116023 0.74 CA1 (0.52) CA9CA1CA2CA4KMT2A
SCHEMBL5250501 0.73 KDM4E (0.52) KDM4EALDH1A1HTTHPGDLMNA
SCHEMBL3107424 0.72 KDM4E (0.57) CA9CA1CA2CA4KMT2A
SCHEMBL5245240 0.72 HPGD (0.45) KMT2AMEN1HTTHPGDPOLB
SCHEMBL5246308 0.71 RAB9A (0.42) KDM4EALDH1A1HTTHPGDLMNA

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 3 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-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
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 (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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 CA9 572/4885CA1 2606/4885CA2 1023/4885

“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.