SCHEMBL3542147

SCHEMBL3542147

NNC(=O)Nc1ccccc1F

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.77
NPC1 O15118 6/20 0.77
SMN1; SMN2 Q16637 4/20 0.77
HTT P42858 3/20 0.62
POLB P06746 1/20 0.61
KMT2A Q03164 5/20 0.57
MEN1 O00255 3/20 0.57
MAPT P10636 1/20 0.57
LMNA P02545 2/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CYP1A2 P05177 1/20 0.55
CA9 Q16790 1/20 0.55
ALDH1A1 P00352 2/20 0.54
TAS1R3 Q7RTX0 1/20 0.53
TAS1R1 Q7RTX1 1/20 0.53
PKM P14618 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53

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
Hydrochloric Acid SCHEMBL9004659 0.98 RAB9A (0.74) RAB9ANPC1SMN1; SMN2HTTPOLB
SCHEMBL11202950 0.87 RAB9A (1.00) RAB9ANPC1SMN1; SMN2HTTPOLB
SCHEMBL30851501 0.87 RAB9A (1.00) RAB9ANPC1SMN1; SMN2HTTPOLB
SCHEMBL27467650 0.82 RAB9A (0.80) RAB9ANPC1SMN1; SMN2HTTPOLB
SCHEMBL29757931 0.81 RAB9A (0.72) RAB9ANPC1SMN1; SMN2HTTPOLB
SCHEMBL157188 0.81 RAB9A (0.72) RAB9ANPC1SMN1; SMN2HTTPOLB
SCHEMBL4347560 0.81 RAB9A (0.71) RAB9ANPC1SMN1; SMN2HTTPOLB
SCHEMBL824564 0.80 SMN1; SMN2 (0.77) RAB9ANPC1SMN1; SMN2HTTPOLB
SCHEMBL19027028 0.79 SMN1; SMN2 (0.58) RAB9ANPC1SMN1; SMN2HTTPOLB
Hydrochloric Acid SCHEMBL8393338 0.79 RAB9A (0.69) RAB9ANPC1SMN1; SMN2HTTPOLB

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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US disclosed
US-7795283-B2 Oxadiazole derivative as DGAT inhibitors ASTRAZENECA AB (SE) 2010-09-14 US disclosed
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors ASTRAZENECA AB (SE) 2008-04-24 US disclosed
CN-101115731-A Oxadiazole derivatives as DGAT inhibitors ASTRAZENECA AB (SE) 2008-01-30 CN disclosed
EP-0566445-B1 Derivatives of indane 1,3-dione and indane-1,2,3-trione, processes for their preparation and their application in therapy INNOTHERA LAB SA (FR) 1996-02-07 EP disclosed
EP-0566445-A1 Derivatives of indane 1,3-dione and indane-1,2,3-trione, processes for their preparation and their application in therapy INNOTHERA (FR) 1993-10-20 EP disclosed
WO-1993020045-A1 INDAN-1,3-DIONE AND INDAN-1,2,3-TRIONE DERIVATIVES, PROCESSES FOR THE PREPARATION OF SAME AND THEIR APPLICATION AS THERAPEUTIC AGENTS INNOTHERA (FR) 1993-10-14 WO disclosed
US-5098462-A Herbicides SANDOZ LTD. (CH) 1992-03-24 US disclosed
US-5098466-A Herbicides SANDOZ LTD. (CH) 1992-03-24 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 (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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 RAB9A 2923/4885NPC1 423/4885SMN1; SMN2 4452/4885
US-20080096874-A1 Oxadiazole Derivative as Dgat Inhibitors DGAT1, DGAT2, GPR119 RAB9A 2977/4885NPC1 399/4885SMN1; SMN2 4458/4885

“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.