SCHEMBL990744

SCHEMBL990744

Fc1cc(F)cc(OCN2CCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
LTA4H P09960 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
CXCR1 P25024 1/20 0.38
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GRM5 P41594 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
SLC6A3 Q01959 2/20 0.36
SOD1 P00441 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
MCHR1 Q99705 1/20 0.35
DRD2 P14416 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL4178236 0.98 HRH3 (0.42) HTTLTA4HMEN1LMNAKMT2A
SCHEMBL3159066 0.83 ESR1 (0.40) LMNAHRH3KDM4ESMN1; SMN2ALDH1A1
SCHEMBL4664868 0.82 SMN1; SMN2 (0.51) LTA4HKDM4ESMN1; SMN2ALDH1A1SLC6A3
SCHEMBL3163559 0.78 HRH3 (0.63) HTTLTA4HMEN1LMNAKMT2A
SCHEMBL7404714 0.77 GRM5 (0.38) GRM5GRIN1GRIN2B
Hydrochloric Acid SCHEMBL7464431 0.75 CHRNB2 (0.37) GRM5GRIN1GRIN2B
SCHEMBL12486958 0.71 LTA4H (0.58) LTA4HHRH3CXCR1KDM4ESMN1; SMN2
SCHEMBL17555438 0.71 LTA4H (0.55) HTTLTA4HMEN1LMNAKMT2A
SCHEMBL18480195 0.71 LTA4H (0.55) HTTLTA4HMEN1LMNAKMT2A
SCHEMBL17571469 0.71 KDM4E (0.56) HTTLTA4HMEN1LMNAKMT2A

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
US-7863310-B2 Kinase inhibitors ELI LILLY AND COMPANY (US) 2011-01-04 US disclosed
US-20080227839-A1 Kinase Inhibitors ELI LILLY AND COMPANY 2008-09-18 US disclosed
US-7320995-B2 Benzimidazoles and benzothiazoles as inhibitors of map kinase ELI LILLY AND COMPANY (US) 2008-01-22 US disclosed
EP-1720862-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
EP-1554272-B1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE LILLY CO ELI (US) 2006-10-25 EP disclosed
US-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase EIL LILLY AND COMPANY (US) 2005-12-08 US disclosed
WO-2005080380-A1 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2005-09-01 WO disclosed
EP-1554272-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2005-07-20 EP disclosed
WO-2004014900-A1 BENZIMIDAZOLES AND BENZOTHIAZOLES AS INHIBITORS OF MAP KINASE ELI LILLY AND COMPANY (US) 2004-02-19 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 (2 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-20050272791-A1 Benzimidazoles and benzothiazoles as inhibitors of map kinase MAP3K8, MAPK8, MAPK1 HTT 4541/4885LTA4H 4255/4885MEN1 3632/4885
US-20080227839-A1 Kinase Inhibitors ABL1, MAP3K20, MAP3K19 HTT 4547/4885LTA4H 4647/4885MEN1 1362/4885

“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.