SCHEMBL4478243

SCHEMBL4478243

O=C(Nc1cc(I)cc(Oc2cccnc2)c1)c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.60
CYP11B2 P19099 1/20 0.60
GRM5 P41594 3/20 0.55
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
TP53 P04637 1/20 0.55
RECQL P46063 1/20 0.55
TNF P01375 1/20 0.53
NOD1 Q9Y239 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 1/20 0.53
CLK1 P49759 1/20 0.53
DYRK1A Q13627 1/20 0.53
GALR3 O60755 1/20 0.51
MAPK1 P28482 1/20 0.51
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
GAA P10253 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL4481536 0.86 CYP11B1 (0.69) CYP11B1CYP11B2GRM5RAB9ANPC1
SCHEMBL4475675 0.85 TSHR (0.59) CYP11B1CYP11B2GRM5SMN1; SMN2LMNA
SCHEMBL4472388 0.84 RAB9A (0.66) CYP11B1CYP11B2GRM5RAB9ANPC1
SCHEMBL12412364 0.84 GRM5 (0.78) GRM5SMN1; SMN2ALDH1A1LMNA
SCHEMBL12412109 0.84 GRM5 (0.62) GRM5SMN1; SMN2ALDH1A1LMNATSHR
SCHEMBL4466412 0.84 CYP11B1 (0.56) CYP11B1CYP11B2GRM5RAB9ANPC1
SCHEMBL4482690 0.84 CYP11B1 (0.54) CYP11B1CYP11B2GRM5RAB9ANPC1
SCHEMBL4492925 0.84 GRM5 (0.63) CYP11B1CYP11B2GRM5RAB9ANPC1
SCHEMBL4477368 0.83 CYP11B1 (0.53) CYP11B1CYP11B2GRM5RAB9ANPC1
SCHEMBL17104295 0.83 SMN1; SMN2 (0.69) CYP11B1CYP11B2GRM5RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1503986-B1 COMPOSITIONS AND METHODS FOR TREATING HEART FAILURE CYTOKINETICS INC (US) 2015-09-30 EP disclosed
US-7605164-B2 Compositions and methods for treating heart failure CYTOKINETICS, INC. (US) 2009-10-20 US disclosed
US-20060173024-A1 Compositions and methods for treating heart failure CYTOKINETICS, INC. (US) 2006-08-03 US disclosed
US-7053094-B2 Compositions and methods for treating heart failure CYTOKINETICS, INC. (US) 2006-05-30 US disclosed
US-20050148638-A1 Compositions and methods for treating heart failure CYTOKINETICS, INC. (US) 2005-07-07 US disclosed
US-6908923-B2 N-(3-oxy-5-functionalphenyl)(hetero)arylcarboxamide derivatives, e.g., 4-fluoro-N-(3-(pyridin-3-yloxy)-phenyl)-benzamide CYTOKINETICS, INC. (US) 2005-06-21 US disclosed
US-20030158233-A1 Compositions and methods for treating heart failure CYTOKINETICS, INCORPORATED 2003-08-21 US 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-20030158233-A1 Compositions and methods for treating heart failure MYH2, TNNI3, MYLK2 CYP11B1 3034/4885CYP11B2 2294/4885GRM5 2825/4885
US-20060173024-A1 Compositions and methods for treating heart failure MYH2, TNNI3, MYLK2 CYP11B1 3034/4885CYP11B2 2294/4885GRM5 2825/4885
US-20050148638-A1 Compositions and methods for treating heart failure MYH2, TNNI3, MYLK2 CYP11B1 3034/4885CYP11B2 2294/4885GRM5 2825/4885

“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.