SCHEMBL2850402

SCHEMBL2850402

O=C(CCc1cnc2ccccc2c1)OC(=O)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 1/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MGAM O43451 1/20 0.40
HDAC6 Q9UBN7 5/20 0.40
HDAC3 O15379 4/20 0.40
HDAC4 P56524 4/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC7 Q8WUI4 4/20 0.40
HDAC2 Q92769 4/20 0.40
HDAC10 Q969S8 4/20 0.40
HDAC11 Q96DB2 4/20 0.40
HDAC8 Q9BY41 4/20 0.40
HDAC9 Q9UKV0 4/20 0.40
HDAC5 Q9UQL6 4/20 0.40
RAB9A P51151 1/20 0.39
DHODH Q02127 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CFTR P13569 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
Trifluoroacetic Acid SCHEMBL2850398 0.82 RHOA (0.48) TRPM5MGAMHDAC6HDAC3HDAC4
SCHEMBL4820884 0.80 TRPM5 (0.55) TRPM5KMT2AMEN1MGAMHDAC6
SCHEMBL3861037 0.78 MAPT (0.52) TRPM5KMT2AMEN1HDAC6HDAC3
Hydrochloric Acid SCHEMBL3861033 0.77 MAPT (0.51) TRPM5KMT2AMEN1HDAC6HDAC3
SCHEMBL2846347 0.77 MGAM (0.54) TRPM5MGAMHDAC6HDAC3HDAC4
SCHEMBL27369755 0.76 TDP1 (0.58) KMT2AHDAC6HDAC3HDAC4HDAC1
SCHEMBL530807 0.76 TRPM5 (0.50) TRPM5KMT2AMEN1MGAMHDAC6
Hydrochloric Acid SCHEMBL3867467 0.76 MGAM (0.53) TRPM5MGAMHDAC6HDAC3HDAC4
Water SCHEMBL27403515 0.75 TDP1 (0.56) KMT2AHDAC6HDAC3HDAC4HDAC1
SCHEMBL9693436 0.75 MGAM (0.56) MGAMRAB9ACFTRTRPV1

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-2152670-B1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2013-12-25 EP disclosed
US-8202885-B2 Bridged six-membered ring compounds ACTELION PHARMACEUTICALS LTD. (CH) 2012-06-19 US disclosed
US-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS IDORSIA PHARMACEUTICALS LTD (CH) 2010-05-27 US disclosed
EP-2152670-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-02-17 EP disclosed
WO-2008132679-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2008-11-06 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-20100130545-A1 BRIDGED SIX-MEMBERED RING COMPOUNDS CACNA1E, CACNA1B, CACNA1A TRPM5 144/4885KMT2A 2899/4885MEN1 549/4885

“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.