SCHEMBL4638980

SCHEMBL4638980

Fc1cccc(F)c1C=NOCl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NFE2L2 Q16236 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
IKBKB O14920 1/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PBRM1 Q86U86 2/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.33

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
SCHEMBL13128156 0.78 SMN1; SMN2 (0.42) POLBSMN1; SMN2LMNARAB9AL3MBTL1
SCHEMBL1096137 0.76 SLC22A1 (0.47) POLBSMN1; SMN2LMNACYP1A2CYP2C9
SCHEMBL30779688 0.74 CYP1A2 (0.47) POLBSMN1; SMN2LMNARAB9AL3MBTL1
SCHEMBL29217466 0.72 POLB (0.50) POLBSMN1; SMN2LMNARAB9AL3MBTL1
SCHEMBL14572072 0.71 CYP1A2 (0.50) SMN1; SMN2LMNARAB9ACYP1A2CYP2C9
SCHEMBL4398103 0.70 POLB (0.44) POLBSMN1; SMN2LMNARAB9AL3MBTL1
SCHEMBL22579079 0.70 POLB (0.44) POLBSMN1; SMN2LMNARAB9AL3MBTL1
SCHEMBL4398099 0.70 POLB (0.44) POLBSMN1; SMN2LMNARAB9AL3MBTL1
SCHEMBL20148150 0.70 POLB (0.44) POLBSMN1; SMN2LMNARAB9AL3MBTL1
SCHEMBL4595327 0.69 NPC1 (0.62) SMN1; SMN2LMNARAB9ANFE2L2CYP1A2

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
EP-1501808-B1 TACHYKININ RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-07-02 EP disclosed
US-7179804-B2 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2007-02-20 US disclosed
US-20050239776-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 2005-10-27 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 (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-20050239776-A1 Tachykinin receptor antagonists TACR2, TACR1, PROKR1 POLB 4843/4885SMN1; SMN2 2813/4885LMNA 4521/4885

“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.