SCHEMBL3138360

SCHEMBL3138360

FC(F)(F)c1ccc(NCc2ccc(Oc3ccc(CN4CCN(Cc5ccc6c(c5)OCO6)CC4)cc3)nc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CACNA1B Q00975 2/20 0.45
CYP3A4 P08684 3/20 0.44
CYP1A2 P05177 2/20 0.44
ADRA2A P08913 2/20 0.44
CYP2D6 P10635 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
CYP2C19 P33261 2/20 0.44
ADRA1A P35348 2/20 0.44
DRD3 P35462 2/20 0.44
KCNH2 Q12809 2/20 0.44
ABCB11 O95342 1/20 0.44
CHRM1 P11229 1/20 0.44
TBXA2R P21731 1/20 0.44
OPRM1 P35372 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HIF1A Q16665 1/20 0.44
CACNA1H O95180 1/20 0.44

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
SCHEMBL3137922 0.91 MEN1 (0.54) LMNASMN1; SMN2CYP3A4CYP1A2ADRA2A
SCHEMBL3143585 0.84 LMNA (0.49) LMNASMN1; SMN2CYP3A4CYP1A2ADRA2A
SCHEMBL5244358 0.82 LMNA (0.53) LMNASMN1; SMN2CYP3A4CYP1A2ADRA2A
SCHEMBL3137365 0.80 PRKAA2 (0.56) HIF1AALDH1A1MEN1KMT2AUSP2
SCHEMBL12276572 0.79 NPC1 (0.47) LMNASMN1; SMN2HIF1AALDH1A1USP2
SCHEMBL3057193 0.79 LMNA (0.41) LMNASMN1; SMN2CYP3A4CYP1A2ADRA2A
SCHEMBL5646015 0.79 LIPE (0.61) LMNASMN1; SMN2CYP3A4CYP1A2ADRA2A
SCHEMBL3032985 0.78 FAAH (0.47) LMNASMN1; SMN2CYP3A4CYP1A2ADRA2A
SCHEMBL8925146 0.78 FAAH (0.47) LMNASMN1; SMN2HIF1AMEN1KMT2A
SCHEMBL29817180 0.78 LMNA (0.70) LMNASMN1; SMN2CYP3A4CYP1A2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 LMNA 2721/4885SMN1; SMN2 4313/4885CACNA1B 2634/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 LMNA 4340/4885SMN1; SMN2 3224/4885CACNA1B 4074/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 LMNA 1091/4885SMN1; SMN2 3077/4885CACNA1B 3641/4885

“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.