SCHEMBL2648657

SCHEMBL2648657

O=C(C=Cc1ccc(-c2ccccc2)cc1)c1ccc2c(c1)OC(F)(F)C(F)(F)O2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
MAPT P10636 4/20 0.54
LMNA P02545 3/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.52
HPGD P15428 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
BCHE P06276 2/20 0.50
STAT3 P40763 1/20 0.50
MAOB P27338 4/20 0.49
MAOA P21397 2/20 0.49
CYP1B1 Q16678 3/20 0.47
CYP1A1 P04798 1/20 0.45
CYP1A2 P05177 1/20 0.45
HSP90AA1 P07900 1/20 0.44
DNMT1 P26358 1/20 0.44
PLIN1 O60240 1/20 0.44
TNFRSF1A P19438 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
SCHEMBL2664943 1.00 NPC1 (0.54) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL2648654 0.93 MAPT (0.54) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL2665097 0.80 CYP2D6 (0.48) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL7062928 0.80 CYP2D6 (0.48) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL976912 0.78 CYP1B1 (0.71) RAB9AMAPTLMNAALDH1A1MEN1
SCHEMBL12306205 0.78 CYP1B1 (0.71) RAB9AMAPTLMNAALDH1A1MEN1
SCHEMBL25279135 0.76 MAPT (0.54) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL3746448 0.75 CYP1A1 (0.58) STAT3MAOBMAOACYP1B1CYP1A1
SCHEMBL657748 0.74 MAPT (0.78) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL657749 0.74 MAPT (0.78) NPC1RAB9AMAPTLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1463715-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-10-06 EP disclosed
US-6762318-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIZED SECONDARY AMIDES; ORAL ADMINISTRATION NOVO NORDISK A/S (DK) 2004-07-13 US disclosed
US-20030236292-A1 Stimulant releasing glucose from liver cells; antidiabetic agents PFIZER INC 2003-12-25 US disclosed
WO-2003048109-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2003-06-12 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-20030236292-A1 Stimulant releasing glucose from liver cells; antidiabetic agents GPR119, GLP1R, GIPR NPC1 1374/4885RAB9A 3070/4885MAPT 4668/4885

“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.